SCHEMBL20197267

SCHEMBL20197267

CCCc1nnc(-c2nc(-c3ccc(NSC(F)(F)F)cc3Cl)cs2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
AMY1A P0DUB6 1/20 0.32
SREBF2 Q12772 5/20 0.31
KDM4E B2RXH2 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
CRHBP P24387 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR2 Q13324 1/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
ATM Q13315 1/20 0.31
HPSE Q9Y251 1/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL20197472 0.87 CYP1B1 (0.36) C1SMAPTLMNARXFP1NPSR1
SCHEMBL20197220 0.85 SREBF2 (0.35) C1SMAPTLMNARXFP1NPSR1
SCHEMBL20197297 0.84 CYP19A1 (0.35) C1SMAPTLMNARXFP1NPSR1
SCHEMBL16535414 0.83 SREBF2 (0.36) MAPTLMNARXFP1NPSR1SREBF2
SCHEMBL20197218 0.81 MAPT (0.36) C1SMAPTLMNARXFP1AMY1A
SCHEMBL20197278 0.80 CNR2 (0.39) MAPTLMNARXFP1KDM4ESMN1; SMN2
SCHEMBL20197221 0.80 SREBF2 (0.55) MAPTLMNASREBF2KDM4EATM
SCHEMBL20197302 0.77 SMN1; SMN2 (0.46) MAPTLMNANPSR1KDM4ESMN1; SMN2
SCHEMBL20197228 0.76 CYP1A1 (0.42) C1SMAPTLMNAAMY1AKDM4E
SCHEMBL20197336 0.75 CYP19A1 (0.46) C1SMAPTLMNAAMY1AKDM4E

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