SCHEMBL8313701

SCHEMBL8313701

COCCCn1c(O)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 2/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CXCR5 P32302 1/20 0.49
OPRM1 P35372 1/20 0.49
APLNR P35414 1/20 0.49
OPRD1 P41143 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TLR9 Q9NR96 1/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL8314046 0.82 LMNA (0.56) TSHRHPGDTP53LMNAHTT
SCHEMBL5456420 0.82 CXCR4 (0.73) TSHRHPGDTP53LMNAHTT
SCHEMBL8312922 0.81 TLR8 (0.49) TSHRHPGDTP53LMNAHTT
SCHEMBL8314180 0.80 APOBEC3G (0.41) TP53RAB9ANPC1KMT2AMAPT
SCHEMBL10834022 0.80 TLR8 (0.68) TSHRTP53HTTSMN1; SMN2MAPT
SCHEMBL6597271 0.79 KDM4E (0.66) TSHRLMNASMN1; SMN2RAB9AKMT2A
SCHEMBL9318535 0.78 ALDH1A1 (0.60) TSHRHPGDTP53LMNAHTT
SCHEMBL8243888 0.78 LMNA (0.51) TSHRHPGDTP53LMNAHTT
SCHEMBL8310888 0.77 CNR2 (0.42) HPGDLMNASMN1; SMN2KMT2ANPSR1
SCHEMBL20220764 0.77 TSHR (0.74) TSHRTP53LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed