SCHEMBL11015014

SCHEMBL11015014

COc1ccc2c(c1)sc1nc(-c3ccccc3)cn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 1.00
MAPT P10636 3/20 1.00
LMNA P02545 2/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
TSHR P16473 1/20 1.00
ATM Q13315 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
APP P05067 2/20 0.74
THRB P10828 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL11015020 0.90 TP53 (0.81) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL13291441 0.89 MAPT (0.80) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL11011184 0.88 TP53 (0.78) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL772566 0.88 MAPT (0.78) TP53MAPTLMNARAB9ASMN1; SMN2
Bromide SCHEMBL3867312 0.88 MAPT (0.78) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL11008472 0.88 MAPT (0.78) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL13290939 0.88 MAPT (0.78) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL13394267 0.88 MAPT (0.78) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL3045412 0.88 MAPT (0.78) TP53MAPTLMNARAB9ASMN1; SMN2
SCHEMBL13394273 0.85 MAPT (0.74) TP53MAPTLMNARAB9ASMN1; 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 1 patent. 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 disclosed