SCHEMBL17844119

SCHEMBL17844119

CC(C)(C)n1sc(-c2ccccc2)c(NCCc2ccccc2Cl)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
HIF1A Q16665 2/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NRP1 O14786 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL17844229 0.85 MEN1 (0.48) TAAR1MEN1KMT2ACASP3CASP7
SCHEMBL5306584 0.84 NTRK1 (0.38) HIF1AHDAC3HDAC1HDAC2HDAC6
SCHEMBL17844110 0.80 MAOA (0.40) GPR84MEN1KMT2APOLB
SCHEMBL17844227 0.80 POLB (0.39) MEN1KMT2AHDAC1KDM4EALDH1A1
SCHEMBL3551960 0.78 BRD4 (0.39) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5261593 0.76 MAPT (0.40) TAAR1MEN1KMT2AF7F3
SCHEMBL5184298 0.76 CA12 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17844141 0.75 MEN1 (0.49) MEN1KMT2ACASP3NPC1RAB9A
SCHEMBL17844175 0.74 CA12 (0.38) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL17844236 0.73 DRD2 (0.44) MEN1KMT2ARAB9AKDM4EALDH1A1

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed