SCHEMBL20197292

SCHEMBL20197292

CC(C)CCn1nccc1-c1nc(-c2ccc(NSC(F)(F)F)cc2Cl)cs1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP1B1 Q16678 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1A1 P04798 1/20 0.31
C1S P09871 1/20 0.31
AMY1A P0DUB6 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16535630 0.84 KDM1A (0.34) MAPTLMNARXFP1ALDH1A1
SCHEMBL22152727 0.77 SREBF2 (0.43) MAPTLMNAALDH1A1
SCHEMBL16536557 0.75 KDM1A (0.35) SMN1; SMN2MAPTLMNARXFP1ALDH1A1
SCHEMBL20197471 0.74 C1S (0.35) SMN1; SMN2MAPTLMNARXFP1CYP1B1
SCHEMBL20197203 0.74 KDM4E (0.36) SMN1; SMN2MAPTLMNARXFP1MEN1
SCHEMBL20197302 0.74 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNACYP1B1CYP1A2
SCHEMBL20197336 0.74 CYP19A1 (0.46) SMN1; SMN2MAPTLMNACYP1B1CYP1A2
SCHEMBL20197228 0.73 CYP1A1 (0.42) SMN1; SMN2MAPTLMNACYP1B1CYP1A2
SCHEMBL20197472 0.73 CYP1B1 (0.36) SMN1; SMN2MAPTLMNARXFP1CYP1B1
SCHEMBL20197219 0.72 SREBF2 (0.33) MAPTLMNARXFP1C1S

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