SCHEMBL7447629

SCHEMBL7447629

CCc1c(CBr)[nH]c2cc(C#N)ccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SRPK1 Q96SB4 5/20 0.37
SRPK2 P78362 3/20 0.37
SLC6A4 P31645 3/20 0.37
CYP2A6 P11509 1/20 0.37
ALK Q9UM73 4/20 0.36
EML4 Q9HC35 3/20 0.36
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL22417805 0.85 MEN1 (0.69) MEN1KMT2ASRPK1SRPK2SLC6A4
SCHEMBL7435163 0.85 MEN1 (0.50) MEN1KMT2ASRPK1SRPK2CYP2A6
SCHEMBL7428870 0.85 MEN1 (0.50) MEN1KMT2ASRPK1SRPK2CYP2A6
SCHEMBL7451903 0.77 MEN1 (0.49) MEN1KMT2ASRPK1SRPK2SLC6A4
SCHEMBL7443194 0.74 SLC6A4 (0.56) MEN1KMT2ASLC6A4ALK
SCHEMBL7452517 0.73 SLC6A4 (0.56) MEN1KMT2ASLC6A4ALK
SCHEMBL28588337 0.72 PIN1 (0.45) MEN1KMT2ASRPK1SRPK2ALK
SCHEMBL6007662 0.72 CHUK (0.53) MEN1KMT2ACYP2A6MAPK10RIPK1
SCHEMBL7570580 0.72 HTR6 (0.48) ALK
SCHEMBL9182077 0.70 NOS3 (0.42) MEN1KMT2ASRPK1SRPK2CYP2A6

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
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO disclosed