SCHEMBL10371678

SCHEMBL10371678

Oc1ccc2[nH]nc(NCCCN3CCOCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.51
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ IDE P14735 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PIK3CG P48736 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL10370014 0.90 HRH3 (0.43) CDC7KMT2AACP1WNT1DYRK1A
SCHEMBL10368865 0.88 HRH3 (0.45) CDC7KDM4EALDH1A1LMNAHPGD
SCHEMBL10368034 0.88 HRH3 (0.45) CDC7KDM4EALDH1A1LMNAHPGD
SCHEMBL10371673 0.86 KDM4E (0.64) CDC7KDM4EALDH1A1MAPTLMNA
SCHEMBL10371460 0.85 GSK3B (0.40) CDC7DYRK1A
SCHEMBL10367631 0.84 GSK3B (0.41) CDC7DYRK1A
SCHEMBL10368910 0.84 CYP2D6 (0.45) KDM4EGAATP53HSD17B10DYRK1A
SCHEMBL10371096 0.84 ACHE (0.44) —
SCHEMBL10367734 0.83 KDM4E (0.57) CDC7KDM4EALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL10369259 0.82 KDM4E (0.56) CDC7KDM4EALDH1A1MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 — — EP disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 — — US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 — — EP disclosed
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