SCHEMBL7323696

SCHEMBL7323696

COc1cc(C(=N)N)ccc1OC(=O)C=Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 3/20 0.64
▸ ABCG2 Q9UNQ0 4/20 0.54
▸ ABCB1 P08183 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ HTR1A P08908 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP1A1 P04798 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP1B1 Q16678 1/20 0.48

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
SCHEMBL7323689 1.00 TNFRSF1A (0.64) TNFRSF1AABCG2ABCB1MAPTKMT2A
SCHEMBL7330202 0.94 TNFRSF1A (0.58) TNFRSF1AABCG2ABCB1MAPTKMT2A
SCHEMBL9065919 0.83 HTR1A (0.60) TNFRSF1AABCG2MAPTKMT2ANPC1
SCHEMBL9065922 0.83 HTR1A (0.60) TNFRSF1AABCG2MAPTKMT2ANPC1
SCHEMBL29823386 0.83 HTR1A (0.60) TNFRSF1AABCG2MAPTKMT2ANPC1
SCHEMBL17301255 0.82 HTR1A (0.60) TNFRSF1AMAPTKMT2AKDM4EALDH1A1
SCHEMBL7338984 0.80 PLAU (0.63) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7855954 0.80 KMT2A (0.61) TNFRSF1AMAPTKMT2AKDM4EALDH1A1
SCHEMBL29823740 0.80 KMT2A (0.61) TNFRSF1AMAPTKMT2AKDM4EALDH1A1
SCHEMBL7855955 0.80 KMT2A (0.61) TNFRSF1AMAPTKMT2AKDM4EALDH1A1

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-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 — — US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 — — US disclosed
Send feedback