SCHEMBL9045342

SCHEMBL9045342

CC(Br)Oc1ccc(C(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.57
PRSS2 P07478 2/20 0.57
PRSS3 P35030 2/20 0.57
ST14 Q9Y5Y6 4/20 0.55
F2 P00734 3/20 0.55
PLAU P00749 2/20 0.55
TMPRSS2 O15393 2/20 0.48
PTGIR P43119 1/20 0.47
PRMT1 Q99873 3/20 0.47
PRMT5 O14744 1/20 0.47
PARP10 Q53GL7 1/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
PTP4A3 O75365 1/20 0.47
SLC22A3 O75751 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
S100B P04271 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47

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
SCHEMBL13716165 0.84 PARP10 (0.66) PRSS1PRSS2PRSS3ST14F2
Hydrochloric Acid SCHEMBL9508544 0.82 PARP10 (0.63) PRSS1PRSS2PRSS3ST14F2
SCHEMBL28026421 0.81 PARP10 (0.72) PARP10
SCHEMBL16800113 0.79 KMT2A (0.45) PARP10ADRA1A
SCHEMBL7390087 0.79 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14F2
SCHEMBL17911615 0.78 ALDH1A3 (0.41) PARP10
SCHEMBL28110160 0.77 CYP1A2 (0.57) PRSS1PRSS2PRSS3ST14F2
SCHEMBL16800111 0.76 ELANE (0.55) PARP10
SCHEMBL6724722 0.76 PRSS1 (0.59) PRSS1PRSS2PRSS3ST14F2
Hydrochloric Acid SCHEMBL9060564 0.74 ST14 (0.57) PRSS1PRSS2PRSS3ST14F2

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-0690849-A1 HETEROCYCLE-CONTAINING AMIDINE DERIVATIVES, THEIR PREPARATION AND USE BOEHRINGER INGELHEIM KG (DE) 1996-01-10 EP disclosed
WO-1994021616-A1 HETEROCYCLE-CONTAINING AMIDINE DERIVATIVES, THEIR PREPARATION AND USE BOEHRINGER INGELHEIM KG (DE) 1994-09-29 WO disclosed