SCHEMBL10465846

SCHEMBL10465846

O=C(COc1ccc(Cl)cc1)Cn1cncn1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10333504 0.78 HTT (0.53) MAPTHTTLMNAPKMPOLB
SCHEMBL6949649 0.78 MAPT (0.48) MAPTHTTLMNAPKMPOLB
SCHEMBL8848381 0.78 ALDH1A1 (0.49) MAPTHTTPOLBTSHRRAB9A
SCHEMBL11199645 0.77 SMN1; SMN2 (0.50) MAPTHTTLMNAPOLBNPC1
SCHEMBL11357363 0.76 MAPT (0.46) MAPTHTTLMNAPKMPOLB
SCHEMBL10680117 0.76 MAPT (0.46) MAPTHTTLMNAPKMPOLB
SCHEMBL29226359 0.76 ALDH1A1 (0.52) MAPTHTTLMNAPKMPOLB
SCHEMBL10390727 0.76 TSHR (0.52) MAPTHTTLMNAPKMPOLB
SCHEMBL7293623 0.75 HTT (0.63) MAPTHTTLMNAPKMPOLB
SCHEMBL11440981 0.75 MAPT (0.60) MAPTLMNAPOLBTSHRNPC1

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
US-4975464-A ADMINISTERING DERIVATIVES OF P-GUANIDINOBENZOIC ACID IMAKI KATSUHIRO (JP) 1990-12-04 US disclosed
US-4957934-A AROMATASE INHIBITORS, TREATMENT OF STEROID HORMONE DEPENDENT DISEASES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-18 US disclosed
EP-0299684-A1 Heterocyclic Compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP disclosed