SCHEMBL7136331

SCHEMBL7136331

c1ccc2c(c1)-c1nc3cc(ccc3[nH]1)-c1ccc3[nH]c-2nc3c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.51
RAB9A P51151 10/20 0.51
SMN1; SMN2 Q16637 9/20 0.51
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 6/20 0.51
HSD17B10 Q99714 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 3/20 0.51
PKM P14618 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 2/20 0.50
ABCB11 O95342 1/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL22649095 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27843942 0.83 HPGD (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27824953 0.82 HPGD (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4496081 0.81 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4495899 0.81 AMY1A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL30863444 0.81 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL57009 0.81 POLB (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10826360 0.81 KDM4E (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8593391 0.80 HPGD (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27843966 0.80 HPGD (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003060099-A2 METHODS AND APPARATUS FOR SPINNING SPIDER SILK PROTEIN NEXIA BIOTECHNOLOGIES, INC. (CA) 2003-07-24 WO disclosed
US-5965065-A USING A FREESTANDING, THIN FILM OF A POLYMER, METAL-POLYMER COMPOSITE, MESH-SUPPORTED POLYMER FILM, OR MESH-SUPPORTED METAL-POLYMER COMPOSITE; POLYBENZIMIDAZOLES POWELL STEPHEN FORBES (US) 1999-10-12 US disclosed
EP-0354040-A2 Membranes prepared from blends of polybenzimidazole with polyarylates HOECHST CELANESE CORPORATION (US) 1990-02-07 EP disclosed
US-4842740-A LESS SUSCEPTIBLE TO MOISTURE AND MORE THERMALLY PROCESSABLE HOECHST CELANESE CORPORATION (US) 1989-06-27 US disclosed