SCHEMBL7997971

SCHEMBL7997971

Oc1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
POLB P06746 2/20 0.63
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
HPGDS O60760 1/20 0.50
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TNIK Q9UKE5 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
LMNA P02545 3/20 0.46
STAT1 P42224 1/20 0.46
SCN4A P35499 1/20 0.45
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL27944783 0.83 LTA4H (0.56) RAB9APOLBNPC1MAPTSCN4A
SCHEMBL7998222 0.83 PDPK1 (0.47) RAB9APOLBALDH1A1MAPTTNIK
SCHEMBL27944787 0.81 KMT2A (0.61) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
SCHEMBL1531261 0.81 MKNK1 (0.61) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
SCHEMBL5837879 0.81 AXL (0.58) RAB9APOLBNPC1ALOX15TNIK
SCHEMBL18218782 0.81 SMN1; SMN2 (0.61) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
SCHEMBL69492 0.79 MEN1 (0.58) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
SCHEMBL17280251 0.79 RAB9A (0.87) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
SCHEMBL17858741 0.78 NPC1 (0.49) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1221862 0.78 MEN1 (0.57) RAB9APOLBNPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103281-A1 PIKFYVE KINASE INHIBITORS Acurastem Inc. (US) 2022-12-21 EP disclosed
CN-103351341-A Organic metal chelate, its preparation method and application CHIEN SHIUNG INST TECHNOLOGY 2013-10-16 CN disclosed
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed
US-5679699-A ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1997-10-21 US disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed
CN-1109051-A 3-(phenylalkyl aminoalkyloxy)-5-phenlpyrazol, production, medium and pharmaceutical of same KALI CHEMIE PHARMA GMBH (DE) 1995-09-27 CN disclosed
US-4695566-A 3-aminocarbonylmethoxy-5-phenylpyrazole compounds, antiarrythmic compositions containing them, and intermediates in their preparation KALI-CHEMIE PHARMA GMBH (DE) 1987-09-22 US disclosed