SCHEMBL10148371

SCHEMBL10148371

Nc1cc(-c2ccc(C(=O)O)cc2)n2ccc(CF)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXRA P19793 4/20 0.35
RXRB P28702 4/20 0.35
MAP4K4 O95819 2/20 0.34
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34

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
SCHEMBL343949 0.81
SCHEMBL10148986 0.80 RXRA (0.44) KDM4EMEN1NPC1ALDH1A1POLB
SCHEMBL10149042 0.80 RXRA (0.48) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL10148487 0.72 KDM4E (0.38) KDM4EALDH1A1MAPTPKMHTT
SCHEMBL10123761 0.70
SCHEMBL10123685 0.69 BCL2 (0.45) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL2998259 0.65 ALDH1A1 (0.60) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL10148477 0.64 RXRA (0.47) KDM4EMEN1NPC1ALDH1A1POLB
Hydrochloric Acid SCHEMBL8436476 0.63 ALDH1A1 (0.58) KDM4EMEN1ALDH1A1POLBGAA
SCHEMBL25125893 0.60 TP53 (0.52) KDM4EALDH1A1KMT2ARXRARXRB

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
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed