SCHEMBL11010261

SCHEMBL11010261

Oc1c(Cl)cc(-c2cn3c(n2)sc2ccccc23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FLT3 P36888 1/20 0.45
MET P08581 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
APP P05067 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
SCHEMBL11012079 0.88 THRB (0.48) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL10814270 0.86 THRB (0.48) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL11011725 0.85 MAPT (0.51) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL11013680 0.81 THRB (0.57) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9837374 0.81 RAB9A (0.53) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL2564592 0.81 THRB (0.56) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL10806421 0.81 MAPT (0.52) THRBMAPTRAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11010648 0.80 MAPT (0.49) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL84416 0.80 RAB9A (0.64) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL11012438 0.78 LMNA (0.50) THRBMAPTRAB9ASMN1; SMN2LMNA

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-4497817-A ANTIALLERGENS-IMMUNOSUPPRESSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 US claimed
US-4497817-A ANTIALLERGENS-IMMUNOSUPPRESSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 US disclosed