SCHEMBL30317323

SCHEMBL30317323

O=C(C=Cc1ccccn1)C=Cc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ATM Q13315 1/20 0.62
HSP90AA1 P07900 2/20 0.61
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1B1 Q16678 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51

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
SCHEMBL11999774 1.00 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11999794 0.91 MAPT (0.68) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL11971239 0.89 MAPT (0.66) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL11971243 0.89 MAPT (0.66) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28993531 0.88 HSP90AA1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28360807 0.86 F3 (0.65) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28360788 0.86 NFKB1 (0.71) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6611670 0.85 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29779566 0.85 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL333837 0.85 NPC1 (0.60) 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-115850329-A Cycloterpyriaryl phosphines, their preparation and use 东莞市均成高新材料有限公司 2023-03-28 CN disclosed