SCHEMBL29419028

SCHEMBL29419028

Cc1cc(/C=C/c2ccccn2)c(C)cc1/C=C/c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ ATM Q13315 1/20 0.64
▸ PTGS1 P23219 1/20 0.59
▸ PTGS2 P35354 1/20 0.59
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GRM4 Q14833 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42

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
SCHEMBL29000602 0.84 RAB9A (0.64) NPC1RAB9AMEN1KMT2AATM
Methyl Alcohol SCHEMBL28478479 0.80 NPC1 (0.89) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9394256 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229329 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL229328 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL31560044 0.80 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL10385623 0.78 PTGS1 (0.65) NPC1RAB9AMEN1KMT2AATM
SCHEMBL711195 0.78 KDM4E (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL711194 0.78 KDM4E (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL712382 0.75 GAA (0.50) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109037448-B Method for controllably preparing organic semiconductor nanowire under synergistic effect 苏州大学 2022-03-11 — — CN disclosed
Send feedback