SCHEMBL10069464

SCHEMBL10069464

CCCC(=O)Nc1ccnc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.70
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL29766853 0.83 F2R (1.00) F2RKMT2A
SCHEMBL882467 0.83 F2R (1.00) F2RKMT2A
SCHEMBL18025116 0.81 F2R (0.82) F2RALDH1A1MAPTHPGDKMT2A
SCHEMBL10069459 0.81 KMT2A (0.66) F2RKMT2ASMN1; SMN2
SCHEMBL882783 0.77 F2R (0.70) F2RALDH1A1MAPTHPGDKMT2A
SCHEMBL10069453 0.76 F2R (0.71) F2RMAPTLMNASMN1; SMN2
SCHEMBL882468 0.76 F2R (0.85) F2RALDH1A1KMT2ASMN1; SMN2
SCHEMBL19308454 0.76 AR (0.60) F2RALDH1A1MAPTHPGDKMT2A
SCHEMBL27473596 0.72 MEN1 (0.69) ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL10069461 0.72 F2R (1.00) F2RALDH1A1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed