SCHEMBL6837433

SCHEMBL6837433

Oc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)ccc2C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.49
CTSS P25774 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
KMO O15229 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAOB P27338 2/20 0.41
XDH P47989 1/20 0.41
MAPK1 P28482 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
MAPT P10636 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
IDO1 P14902 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL6837460 0.88 KDM1A (0.54) KDM1ACTSSMEN1KMT2APOLB
SCHEMBL15137127 0.85 KDM1A (0.67) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL527208 0.85 KDM1A (0.67) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL527207 0.85 KDM1A (0.67) KDM1ACTSSKMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL527561 0.84 KDM1A (0.66) KDM1ACTSSKMOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL527560 0.84 KDM1A (0.66) KDM1ACTSSKMOKDM4EALDH1A1
SCHEMBL20923959 0.79 KDM1A (0.70) KDM1ACTSSMEN1KMT2APOLB
SCHEMBL6837458 0.78 KDM1A (0.70) KDM1ACTSSMEN1KMT2APOLB
SCHEMBL15136574 0.73 KDM1A (0.73) KDM1ACTSSKDM4EALDH1A1MAOB
SCHEMBL528168 0.73 KDM1A (0.73) KDM1ACTSSKDM4EALDH1A1MAOB

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-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 EP disclosed
WO-2012013727-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed