SCHEMBL31106934

SCHEMBL31106934

CCCCc1c(Cl)ccc(Br)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SKP2 Q13309 1/20 0.33
CFTR P13569 4/20 0.32
ALDH1A1 P00352 2/20 0.32
TYMP P19971 1/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTRC Q99895 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LMNA P02545 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 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
SCHEMBL4652624 0.84 TAAR1 (0.35) TAAR1SIGMAR1
SCHEMBL27875242 0.82 CA2 (0.34) TAAR1
SCHEMBL3843026 0.81 ABL1 (0.34) ABL1MEN1KMT2AALDH1A1HPGD
SCHEMBL4654149 0.79 TAAR1 (0.37) TAAR1
SCHEMBL3836604 0.79 TAAR1 (0.31) TAAR1
SCHEMBL4651500 0.78 TAAR1 (0.32) MEN1KMT2AALDH1A1TAAR1
SCHEMBL13235156 0.75 CTRC (0.41) ABL1MEN1KMT2AHTTCTRC
SCHEMBL2999322 0.75 TAAR1 (0.31) TAAR1
SCHEMBL31068204 0.75 ABL1 (0.32) ABL1TAAR1
SCHEMBL3837368 0.74 THRA (0.43) ABL1MEN1KMT2ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955409-A Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-11-15 CN disclosed
CN-112867539-B Cardiac sarcomere inhibitors 赛特凯恩蒂克公司 2024-08-06 CN disclosed