SCHEMBL7913558

SCHEMBL7913558

Clc1ccc(N=Nc2ccc(Cl)cn2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
PLAU P00749 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.48
APAF1 O14727 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HK1 P19367 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTK2 Q05397 1/20 0.36
LMNA P02545 1/20 0.35
CYP2A6 P11509 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
SCHEMBL2564016 0.85 MAOA (0.55) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL7913597 0.85 MAOA (0.55) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL23120078 0.85 MAOA (0.55) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL28231042 0.81 ADRA2A (0.47) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL15360072 0.80
SCHEMBL6730549 0.80
Hydrochloric Acid SCHEMBL11711350 0.78 ADRA2A (0.57) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL31621735 0.77 TDP1 (0.45) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL12805490 0.77 TDP1 (0.45) ADRA2AADRA2BADRA2CPLAUL3MBTL1
SCHEMBL6902852 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed