SCHEMBL14033360

SCHEMBL14033360

OC(c1ccc(Cl)cc1)c1cccc2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
PABPC1 P11940 2/20 0.48
EIF4H Q15056 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
ANO1 Q5XXA6 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FADS1 O60427 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NR4A2 P43354 2/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL14033666 0.84 PABPC1 (0.48) L3MBTL1PABPC1EIF4HMEN1KMT2A
SCHEMBL4182229 0.80 FAAH (0.43) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL14033102 0.78 HSP90AA1 (0.47) L3MBTL1MEN1KMT2AKDM4EMAPT
SCHEMBL4707557 0.78 CYP19A1 (0.38) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL30489100 0.78 CYP19A1 (0.38) L3MBTL1ALDH1A1KDM4EMAPTLMNA
SCHEMBL14033098 0.77 ACP3 (0.49) L3MBTL1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3747011 0.75 KDM4E (0.48) PABPC1EIF4HMEN1KMT2AALDH1A1
SCHEMBL29664507 0.75 KDM4E (0.48) PABPC1EIF4HMEN1KMT2AALDH1A1
SCHEMBL858300 0.75 AXL (0.44) KMT2AMAPTLMNAPOLB
SCHEMBL30251313 0.74 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTSMN1; SMN2HSP90AA1

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-8809345-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed