SCHEMBL7635971

SCHEMBL7635971

N#CCCCOc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)nc3C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
EPHX2 P34913 5/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ABL1 P00519 4/20 0.42
BCR P11274 4/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
STAT3 P40763 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL7631313 0.88 MAPT (0.45) MAPTRAB9ANPC1EPHX2RXFP1
SCHEMBL5204573 0.86 EPHX2 (0.52) MAPTRAB9ANPC1EPHX2RXFP1
SCHEMBL7239115 0.85 MAPT (0.46) MAPTRAB9ANPC1RXFP1ABL1
SCHEMBL7635766 0.85 CACNA1B (0.41) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL7235236 0.77 EPHX2 (0.52) MAPTEPHX2ABL1BCRPDGFRB
SCHEMBL7630028 0.77 ABCB1 (0.36) MAPTLMNAKMT2A
SCHEMBL7996473 0.75 USP2 (0.37) MAPTRAB9ANPC1CYP11B1CYP11B2
SCHEMBL5205222 0.74 EPHX2 (0.48) MAPTRAB9ANPC1EPHX2RXFP1
SCHEMBL7630588 0.74 TSHR (0.42) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL7237026 0.73 MAPT (0.45) MAPTRAB9ANPC1RXFP1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451820-B1 Substituted 1-(4-aminophenly)triazoles and their use as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-17 US claimed
WO-2001072740-A1 SUBSTITUTED 1-(4-AMINOPHENYL) TRIAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-10-04 WO claimed