SCHEMBL9112458

SCHEMBL9112458

Clc1ccc2oc(-c3ccc(N4CCCCC4)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ KDM4E B2RXH2 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ LMNA P02545 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ NFKB2 Q00653 1/20 0.60
▸ RELA Q04206 1/20 0.60
▸ CASP3 P42574 4/20 0.59
▸ SENP7 Q9BQF6 3/20 0.59
▸ SENP6 Q9GZR1 1/20 0.59
▸ MAOB P27338 2/20 0.53
▸ POLB P06746 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL2247599 0.91 NPC1 (0.62) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2240641 0.84 RAB9A (0.67) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2249941 0.83 RAB9A (0.68) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2244438 0.82 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11230016 0.80 KDM4E (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL38661261 0.80 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1675514 0.79 HDAC6 (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11242605 0.79 KDM4E (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29479840 0.78 PIK3CB (0.57) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13568696 0.78 HDAC6 (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623115-A4 NUCLEOPHILIC DISPLACEMENT METHOD FOR SYNTHESIS OF NON-RIGID PBZ POLYMERS. DOW CHEMICAL CO (US) 1995-01-11 — — EP disclosed
EP-0623115-A1 NUCLEOPHILIC DISPLACEMENT METHOD FOR SYNTHESIS OF NON-RIGID PBZ POLYMERS THE DOW CHEMICAL COMPANY (US) 1994-11-09 — — EP disclosed
WO-1993014071-A1 NUCLEOPHILIC DISPLACEMENT METHOD FOR SYNTHESIS OF NON-RIGID PBZ POLYMERS THE DOW CHEMICAL COMPANY (US) 1993-07-22 — — WO disclosed
US-5216110-A Monomers useful in nucleophilic displacement synthesis of polybenzazole polymers THE DOW CHEMICAL COMPANY (US) 1993-06-01 — — US disclosed
US-5194562-A Nucleophilic displacement method for synthesis of non-rigid PBZ polymers THE DOW CHEMICAL COMPANY (US) 1993-03-16 — — US disclosed
US-5104960-A Nucleophilic displacement method for synthesis of non-rigid PBZ polymers THE DOW CHEMICAL COMPANY (US) 1992-04-14 — — US disclosed
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