SCHEMBL882806

SCHEMBL882806

CCCC(=O)Nc1cccc(NC(=O)c2ccccc2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 1.00
KCNK3 O14649 3/20 0.66
KCNK9 Q9NPC2 3/20 0.66
ALDH1A1 P00352 3/20 0.65
POLB P06746 2/20 0.65
KMT2A Q03164 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL11668137 0.87 KCNK3 (0.84) F2RKCNK3KCNK9ALDH1A1POLB
SCHEMBL882721 0.86 F2R (1.00) F2RALDH1A1KMT2A
SCHEMBL882768 0.86 F2R (1.00) F2RALDH1A1KMT2ASMN1; SMN2
SCHEMBL882467 0.85 F2R (1.00) F2RKMT2A
SCHEMBL29766853 0.85 F2R (1.00) F2RKMT2A
SCHEMBL882797 0.85 F2R (1.00) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL882809 0.85 F2R (1.00) F2RKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10975643 0.83 F2R (0.73) F2RALDH1A1POLBRAB9A
SCHEMBL882759 0.83 F2R (0.70) F2RALDH1A1KMT2A
SCHEMBL882763 0.83 F2R (0.70) F2RALDH1A1L3MBTL1

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