SCHEMBL6837428

SCHEMBL6837428

O=c1cc(-c2ccc(C3CC3)cn2)cc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
MAP4K4 O95819 2/20 0.41
KDM1A O60341 9/20 0.39
ALOX5AP P20292 1/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 2/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CDK4 P11802 1/20 0.34
CDK6 Q00534 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
SCHEMBL529131 0.81 KDM1A (0.59) KDM1AMAOB
SCHEMBL18949392 0.81 KDM1A (0.59) KDM1AMAOB
SCHEMBL15136623 0.81 KDM1A (0.59) KDM1AMAOB
SCHEMBL529132 0.81 KDM1A (0.59) KDM1AMAOB
Hydrochloric Acid SCHEMBL528687 0.80 KDM1A (0.58) KDM1AMAOB
Hydrochloric Acid SCHEMBL15137049 0.80 KDM1A (0.58) KDM1AMAOB
SCHEMBL20924172 0.78 KDM1A (0.49) KDM1AMAOBTDP1L3MBTL1
SCHEMBL18034806 0.78 MAP4K4 (0.51) NOTUMMAP4K4KDM1AALOX5APMAPT
SCHEMBL94256 0.74 HDAC6 (0.50) NOTUMMAP4K4ALOX5APMAPTKMT2A
SCHEMBL94269 0.74 MAP4K4 (0.55) NOTUMMAP4K4ALOX5APMAPTHDAC6

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
WO-2012013727-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed