SCHEMBL7905481

SCHEMBL7905481

c1cnc2ccc(-c3ccc4cccnc4c3)cc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.84
POLB P06746 2/20 0.84
RAB9A P51151 2/20 0.84
DYRK1A Q13627 1/20 0.66
ALDH1A1 P00352 5/20 0.56
MCL1 Q07820 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
CASP1 P29466 2/20 0.55
HTT P42858 2/20 0.55
ATM Q13315 2/20 0.55
CASP7 P55210 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
NR4A2 P43354 1/20 0.55
KDM4E B2RXH2 1/20 0.55
TP53 P04637 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55

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
SCHEMBL30743 0.92 NPC1 (1.00) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL29757180 0.92 NPC1 (1.00) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL29485612 0.92 NPC1 (0.68) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL3726615 0.92 NPC1 (0.68) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL23441982 0.88 NPC1 (0.64) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL18941921 0.88 NPC1 (0.84) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL19506133 0.88 NPC1 (0.64) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL12075052 0.84 NPC1 (0.59) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL6005419 0.84 NPC1 (0.59) NPC1POLBRAB9ADYRK1AALDH1A1
SCHEMBL443618 0.84 NPC1 (0.84) NPC1POLBRAB9ADYRK1AALDH1A1

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