SCHEMBL31591432

SCHEMBL31591432

O=c1[nH]cccc1-c1nc2n[nH]cc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.50
▸ GBA1 P04062 1/20 0.50
▸ RAB9A P51151 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ GUSB P08236 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ PDE5A O76074 4/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE6D O43924 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PDE9A O76083 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL7965710 0.73 PDE5A (0.69) GUSBKDM4EHPGDPDE5AALDH1A1
Oxypurinol SCHEMBL8258215 0.70 PARP1 (0.38) GUSBKDM4EHPGDALDH1A1CYP1A2
SCHEMBL31591419 0.69 TNKS2 (0.41) NPC1RAB9AGUSBKDM4EHPGD
SCHEMBL29941421 0.67 NPC1 (1.00) NPC1GBA1RAB9AATMERAP1
SCHEMBL15190213 0.67 NPC1 (1.00) NPC1GBA1RAB9AATMERAP1
SCHEMBL8278866 0.66 PARP1 (0.46) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL19236510 0.66 CYP1A2 (0.49) KDM4EHPGDALDH1A1CYP1A2MEN1
SCHEMBL2101505 0.66 AURKA (0.56) NPC1GBA1RAB9AATMERAP1
SCHEMBL9117502 0.63 NPC1 (0.54) NPC1GBA1RAB9AATMERAP1
SCHEMBL7700240 0.63 NPC1 (0.42) NPC1GBA1RAB9AATMERAP1

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-4559520-A1 NOVEL AQP4 INHIBITORS Origenis GmbH (DE) 2025-05-28 — — EP claimed
EP-4559520-A1 NOVEL AQP4 INHIBITORS Origenis GmbH (DE) 2025-05-28 — — EP disclosed
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