SCHEMBL529680

SCHEMBL529680

O=C(O)C=Cc1ccc(-c2cccc(CF)c2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
PTGER3 P43115 4/20 0.38
PTGER2 P43116 4/20 0.38
PTGER1 P34995 3/20 0.38
PTGER4 P35408 3/20 0.38
PKM P14618 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PIM2 Q9P1W9 3/20 0.37
TBXA2R P21731 2/20 0.37
PTGFR P43088 2/20 0.37
PTGDR Q13258 2/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
PTGIR P43119 1/20 0.37
MDM2 Q00987 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL528042 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2A
SCHEMBL528043 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4210528 0.70 KDM4E (0.59) GAAPKMAKR1C3AKR1C2PIM2
SCHEMBL4210529 0.70 KDM4E (0.59) GAAPKMAKR1C3AKR1C2PIM2
SCHEMBL15940701 0.68 CA1 (0.43) GAAPTGER3PTGER2PTGER1PTGER4
SCHEMBL31026896 0.68 CA1 (0.43) GAAPTGER3PTGER2PTGER1PTGER4
SCHEMBL15940704 0.68 CA1 (0.43) GAAPTGER3PTGER2PTGER1PTGER4
SCHEMBL15381411 0.66 IRAK4 (0.44)
SCHEMBL6958095 0.66 ALOX5 (0.65) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL3778055 0.66 MIF (0.41) GAAPTGER3PTGER2PTGER1KDM4E

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-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS Oryzon Genomics, S.A. (ES) 2013-06-05 EP disclosed
WO-2012013727-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS LSD1 INHIBITORS ORYZON GENOMICS S.A. (ES) 2012-02-02 WO disclosed