SCHEMBL7617024

SCHEMBL7617024

COCOc1ccc(C(c2ccc(OCOC)cc2)c2c(C(=O)N3CCOCC3)n(CCN(C)C)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
FKBP1A P62942 2/20 0.38
PTGER4 P35408 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7615347 0.92 CNR2 (0.44) CNR2CNR1PTGER4HPGDSMN1; SMN2
SCHEMBL7612492 0.91 TP53 (0.39) ALDH1A1KMT2ATP53THRBSMN1; SMN2
SCHEMBL7615681 0.88 MAPK1 (0.43) ALDH1A1KMT2AHPGDSMN1; SMN2GAA
SCHEMBL8479507 0.87 CNR2 (0.44) ALDH1A1L3MBTL1KMT2ACNR2HPGD
SCHEMBL7616570 0.87 DRD2 (0.40) ALDH1A1CNR2SMN1; SMN2MAPK1HTT
SCHEMBL7612724 0.86 ALDH1A1 (0.39) ALDH1A1L3MBTL1KMT2APTGER4TP53
SCHEMBL8476854 0.86 PTGER4 (0.42) ALDH1A1KMT2ACNR1PTGER4HPGD
SCHEMBL8476916 0.84 KDM4E (0.43) ALDH1A1KMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL7615408 0.84 CNR2 (0.36) ALDH1A1L3MBTL1KMT2ACNR2CNR1
SCHEMBL8479514 0.83 PARP1 (0.38) ALDH1A1KMT2ACNR2PTGER4HTT

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-0741132-B1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
EP-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed