SCHEMBL20197471

SCHEMBL20197471

CC(C)Cc1nc(N)cc(-c2nc(-c3ccc(NSC(F)(F)F)cc3Cl)cs2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1S P09871 2/20 0.35
AMY1A P0DUB6 1/20 0.34
CYP1B1 Q16678 3/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1A2 P05177 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
CRHBP P24387 1/20 0.30
RAB9A P51151 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16535240 0.84 KDM1A (0.34) C1SAMY1ACYP1B1CYP1A1CYP1A2
SCHEMBL20197254 0.83 LMNA (0.32) LMNAMAPTRXFP1
SCHEMBL22152727 0.79 SREBF2 (0.43) LMNAMAPTKDM4E
SCHEMBL20197472 0.76 CYP1B1 (0.36) C1SAMY1ACYP1B1CYP1A1CYP1A2
SCHEMBL20197302 0.74 SMN1; SMN2 (0.46) CYP1B1CYP1A1CYP1A2NPSR1LMNA
SCHEMBL20197292 0.74 SMN1; SMN2 (0.33) C1SAMY1ACYP1B1CYP1A1CYP1A2
SCHEMBL20197220 0.74 SREBF2 (0.35) C1SAMY1ANPSR1LMNAMAPT
SCHEMBL20197228 0.74 CYP1A1 (0.42) C1SAMY1ACYP1B1CYP1A1CYP1A2
SCHEMBL20197203 0.73 KDM4E (0.36) LMNAMAPTRXFP1KDM4ENPC1
SCHEMBL20197336 0.72 CYP19A1 (0.46) C1SAMY1ACYP1B1CYP1A1CYP1A2

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-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed