SCHEMBL11110160

SCHEMBL11110160

O=C1c2ccccc2C(=O)N1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.45
RPS6KA3 P51812 1/20 0.45
RPS6KA2 Q15349 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
S100A4 P26447 2/20 0.45
LRRK2 Q5S007 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH3A1 P30838 1/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TDP2 O95551 2/20 0.45
APAF1 O14727 1/20 0.45
NSD2 O96028 1/20 0.45
GALK1 P51570 1/20 0.45

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
SCHEMBL11703854 0.88 MAPT (0.43) KMT2ASMN1; SMN2GAAALDH1A1RPS6KA3
SCHEMBL28199493 0.85 KDM4E (0.57) KMT2ASMN1; SMN2GAAALDH1A1LMNA
SCHEMBL30022123 0.85 POLB (0.54) KMT2AGAAALDH1A1POLBMEN1
SCHEMBL13016515 0.84 KDM4E (0.41) KMT2ASMN1; SMN2GAAALDH1A1LMNA
SCHEMBL30595375 0.81 POLB (0.50) KMT2AGAAALDH1A1POLBNPC1
SCHEMBL1001751 0.81 POLB (0.50) KMT2AGAAALDH1A1POLBLRRK2
SCHEMBL6193007 0.79 ALDH1A1 (0.49) KMT2AGAAALDH1A1POLBLRRK2
SCHEMBL83222 0.79 ALDH1A1 (0.49) KMT2AGAAALDH1A1POLBLRRK2
SCHEMBL29643230 0.79 ALDH1A1 (0.49) KMT2AGAAALDH1A1POLBLRRK2
SCHEMBL11706050 0.79 CA9 (0.41) ALDH1A1CA1CA2L3MBTL1MAPT

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
EP-0099614-A2 Nitro, amino and aroylamino-N-phenylpyridinamines and their use in a process for preparing pyrido(1,4)benzodiazapines A.H. ROBINS COMPANY, INCORPORATED (US) 1984-02-01 EP claimed
US-4318925-A 4-Homoisotwistane derivatives SUMITOMO CHEMICAL CO., LTD. (JP) 1982-03-09 US disclosed