SCHEMBL5680002

SCHEMBL5680002

CN1CCN(c2cc3c(cn2)c(=O)c(C(=O)O)cn3C2CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ HPGD P15428 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ PIK3CG P48736 5/20 0.50
▸ TOP2A P11388 2/20 0.49
▸ TOP2B Q02880 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ALB P02768 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PIK3CD O00329 3/20 0.43
▸ PIK3R1 P27986 3/20 0.43
▸ PIK3CA P42336 3/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TUBB P07437 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9805938 0.88 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11275888 0.86 PIK3CG (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5681364 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5681111 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5683277 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9066138 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6665312 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL15502434 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11713494 0.81 DRD3 (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11717666 0.80 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831869-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2006-02-08 — — EP disclosed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 — — EP disclosed
US-5880111-A CHEMOTHERAPWUTIC AGENTS; TREATING PERIODONTAL DISEASE AND URINARY TRACT INFECTIONS FARCASIU DAN (US) 1999-03-09 — — US disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 — — US disclosed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 — — EP disclosed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 — — WO disclosed
US-5077429-A 7-AMINO-1-CYCLOPROPYL-4-OXO-1,4-DIHYDRO-QUINOLINE- AND NAPHTHYRIDINE-3-CARBOXYLIC ACIDS, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THESE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-31 — — US disclosed
US-4670444-A 7-amino-1-cyclopropyl-4-oxo-1, 4-dihydro-quinoline-and naphthyridine-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 — — US disclosed
US-4620007-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-10-28 — — US disclosed
EP-0049355-A1 7-Amino-1-cyclopropyl-4-oxo-1,4-dihydro-(naphthyridine or quinoline)-3-carboxylic acids, process for their preparation and pharmaceutical compositions containing them BAYER AG (DE) 1982-04-14 — — EP disclosed
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