SCHEMBL20923959

SCHEMBL20923959

Cc1nc(-c2cccc(C(F)(F)F)c2)ccc1C1CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.70
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSS P25774 2/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GABRA1 P14867 1/20 0.47
HPGD P15428 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BRD4 O60885 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL6837458 0.84 KDM1A (0.70) KDM1AMEN1POLBKMT2ACTSS
SCHEMBL15136256 0.82 KDM1A (1.00) KDM1AMEN1POLBKMT2ACTSS
SCHEMBL15137206 0.82 KDM1A (1.00) KDM1AMEN1POLBKMT2ACTSS
SCHEMBL15135913 0.82 KDM1A (1.00) KDM1AMEN1POLBKMT2ACTSS
Hydrochloric Acid SCHEMBL15136547 0.81 KDM1A (0.97) KDM1AMEN1POLBKMT2ACTSS
Hydrochloric Acid SCHEMBL15136548 0.81 KDM1A (0.97) KDM1AMEN1POLBKMT2ACTSS
SCHEMBL19865072 0.80 KDM1A (0.62) KDM1ACTSSALDH1A1KDM4ECYP1A2
SCHEMBL6837460 0.79 KDM1A (0.54) KDM1AMEN1POLBKMT2ACTSS
SCHEMBL6837433 0.79 KDM1A (0.49) KDM1AMEN1POLBKMT2ACTSS
SCHEMBL28325847 0.79 KDM1A (0.57) KDM1AMEN1POLBKMT2ACTSS

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-2598480-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS SA (ES) 2019-04-24 EP disclosed