SCHEMBL7703141

SCHEMBL7703141

BrCc1c[c]ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
BACE1 P56817 1/20 0.31
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
BCL2L1 Q07817 1/20 0.30
CYP2A6 P11509 1/20 0.30
HTR7 P34969 1/20 0.30
FOLH1 Q04609 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL27582158 0.85 TDP1 (0.38) DPP4ALDH1A1MAPK1KMT2APDCD1
SCHEMBL5236635 0.82 PDCD1 (0.44) DPP4ALDH1A1KMT2ATSHRPDCD1
SCHEMBL6670308 0.81 DPP4 (0.39) DPP4ALDH1A1MAPK1KMT2APDCD1
SCHEMBL21408619 0.81 DPP4 (0.59) DPP4ALDH1A1MAPK1KMT2APDCD1
SCHEMBL5685480 0.81 DPP4 (0.39) DPP4ALDH1A1MAPK1KMT2APDCD1
SCHEMBL8838466 0.78 DPP4 (0.37) DPP4ALDH1A1KMT2APDCD1CD274
SCHEMBL4541915 0.77 GABRA1 (0.37) DPP4KMT2A
SCHEMBL15647269 0.77 DPP4 (0.36) DPP4KMT2ACYP2A6
SCHEMBL21408622 0.77 TAAR1 (0.43) DPP4ALDH1A1KMT2ATSHRBACE1
SCHEMBL15647437 0.77 DPP4 (0.36) DPP4KMT2A

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-1216285-A1 FLUORESCENT MALEIMIDES AND USES THEREOF Ciba SC Holding AG (CH) 2002-06-26 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed