SCHEMBL7913699

SCHEMBL7913699

c1cnc2ccc(-c3ccnc4ccccc34)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 1/20 0.62
ACVR1 Q04771 9/20 0.56
CYP3A4 P08684 1/20 0.51
DYRK1A Q13627 1/20 0.51
AAK1 Q2M2I8 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ERN1 O75460 1/20 0.49
PIK3CA P42336 1/20 0.48
GRM4 Q14833 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL18594102 0.87 ACVR1 (0.55) NPC1RAB9AACVR1CYP3A4AAK1
SCHEMBL31428879 0.85 PDGFRB (0.57) NPC1POLBRAB9AACVR1CYP1A2
SCHEMBL20873052 0.85 PDGFRB (0.57) NPC1POLBRAB9AACVR1CYP1A2
SCHEMBL30345250 0.85 PDGFRB (0.57) NPC1POLBRAB9AACVR1CYP1A2
SCHEMBL4632539 0.85 POLB (0.65) NPC1POLBRAB9AACVR1CYP3A4
SCHEMBL17945889 0.85 NPC1 (0.49) NPC1POLBRAB9AACVR1CYP3A4
SCHEMBL17449884 0.84 NPC1 (0.48) NPC1POLBRAB9AACVR1CYP3A4
SCHEMBL17343990 0.84 NPC1 (0.62) NPC1POLBRAB9AACVR1CYP3A4
SCHEMBL17343329 0.82 NPC1 (0.46) NPC1POLBRAB9AACVR1DYRK1A
SCHEMBL16483437 0.82 ERN1 (0.54) NPC1POLBRAB9AACVR1CYP3A4

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