SCHEMBL11430775

SCHEMBL11430775

O=C(Nc1nnn[nH]1)c1cc(O)cc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.41
▸ HSP90AB1 P08238 3/20 0.41
▸ EGLN1 Q9GZT9 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ KDR P35968 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11428444 0.87 NPC1 (0.48) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL11431754 0.87 MAPT (0.40) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL11436996 0.87 KDR (0.46) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL9501879 0.85 NPC1 (0.56) EGLN1NPC1CASP3RAB9ASENP8
SCHEMBL11562472 0.75 P2RX1 (0.46) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL13446715 0.74 NQO2 (0.42) NPC1RAB9AMEN1KMT2A
SCHEMBL11436009 0.73 NPC1 (0.44) EGLN1NPC1CASP3RAB9ASENP8
SCHEMBL13715920 0.73 KDM4E (0.53) MEN1KMT2AMAPTKDM4EL3MBTL1
SCHEMBL11429773 0.72 ALDH1A1 (0.58) HSP90AA1HSP90AB1EGLN1MAPTKDM4E
SCHEMBL11565071 0.72 ALDH1A1 (0.49) HSP90AB1RAB9AMEN1KMT2AMAPT

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
US-4186201-A ANTIALLERGIC AGENTS RIKER LABORATORIES, INC. (US) 1980-01-29 — — US disclosed
US-4147694-A ANTIALLERGENS, ANTIHISTAMINES RIKER LABORATORIES, INC. (US) 1979-04-03 — — US disclosed
Send feedback