SCHEMBL6544989

SCHEMBL6544989

CCCCn1ccnc1C(O)(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
ACSS2 Q9NR19 5/20 0.38
RORC P51449 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
TLR8 Q9NR97 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11537324 0.81 KMT2A (0.48) KMT2AMEN1ACSS2RORCUSP2
SCHEMBL11533532 0.80 RAB9A (0.48) KMT2AALDH1A1MEN1USP2RAB9A
SCHEMBL20866508 0.79 KMT2A (0.59) KMT2AMEN1ACSS2
SCHEMBL11531498 0.76 USP2 (0.41) KMT2AACSS2RORCUSP2RAB9A
SCHEMBL1347394 0.72 KMT2A (0.54) KMT2AALDH1A1MEN1
SCHEMBL11534182 0.72 KMT2A (0.48) KMT2AALDH1A1MEN1ACSS2RORC
SCHEMBL11539389 0.72 KMT2A (0.48) KMT2AALDH1A1MEN1ACSS2
SCHEMBL4906686 0.71 TLR8 (0.42) KMT2AALDH1A1POLBMEN1RAB9A
SCHEMBL4910247 0.71 KMT2A (0.44) KMT2AALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11531880 0.71 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227811-B1 USE OF 2-IMIDAZOLYL SUBSTITUTED CARBINOLS FOR PRODUCTION OF A MEDICAMENT FOR TREATMENT OR PROPHYLAXIS OF DISEASE STATES AS A RESULT OF ISCHAEMIC CONDITIONS AVENTIS PHARMA GMBH (DE) 2004-01-14 EP disclosed
EP-1227811-A2 USE OF 2-IMIDAZOLYL SUBSTITUTED CARBINOLS FOR PRODUCTION OF A MEDICAMENT FOR TREATMENT OR PROPHYLAXIS OF DISEASE STATES AS A RESULT OF ISCHAEMIC CONDITIONS Aventis Pharma Deutschland GmbH (DE) 2002-08-07 EP disclosed
US-6291502-B1 Use of 2-imidazolyl-substituted carbinols for the production of a medicament for the treatment or phophylaxis of diseases caused by ischemic conditions AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-18 US disclosed
WO-2001030327-A2 USE OF 2-IMIDAZOLYL SUBSTITUTED CARBINOLS FOR PRODUCTION OF A MEDICAMENT FOR TREATMENT OR PROPHYLAXIS OF ISCHAEMIC CONDITIONS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-03 WO disclosed