SCHEMBL6600453

SCHEMBL6600453

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4cnccn4)cc3)CCC2)cc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CFTR P13569 7/20 0.44
▸ ABL1 P00519 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PGR P06401 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6606978 0.93 CFTR (0.49) NPC1RAB9AL3MBTL1CFTRALDH1A1
SCHEMBL6602107 0.91 NPC1 (0.48) NPC1RAB9ACFTRABL1ALDH1A1
SCHEMBL6602654 0.89 RAB9A (0.47) NPC1RAB9ACFTRALDH1A1POLB
SCHEMBL143145 0.89 ABL1 (0.51) ABL1ALDH1A1POLBLMNAKCNH2
SCHEMBL6605509 0.88 ABL1 (0.50) L3MBTL1CFTRABL1ALDH1A1POLB
SCHEMBL7645940 0.88 ALDH1A1 (0.46) CFTRABL1ALDH1A1POLBPGR
SCHEMBL6600681 0.87 PDE4D (0.47) CFTRALDH1A1POLBKMT2AMEN1
SCHEMBL7783534 0.86 CFTR (0.44) CFTRABL1ALDH1A1POLBLMNA
SCHEMBL6605449 0.85 ALDH1A1 (0.48) ABL1ALDH1A1POLBLMNAPGR
SCHEMBL6600745 0.85 MAOB (0.48) ALDH1A1POLBHPGDLMNAPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 — — EP disclosed
US-6479494-B1 THEY INHIBIT SELECTIVELY PHOSPHODIESTERASE IV, WHICH CAUSES AN INCREASE OF THE INTRACELLULAR CAMP LEVEL AS CAMP INHIBITS BONE DECREASING CELLS AND STIMULATES BONE INCREASING CELLS FOR TREATMENT OF OSTEOPOROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-11-12 — — US disclosed
US-6107295-A Arylalkanoyl pyridazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-22 — — US disclosed
EP-0922036-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GmbH (DE) 1999-06-16 — — EP disclosed
WO-1998006704-A1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 1998-02-19 — — WO disclosed
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