SCHEMBL31325644

SCHEMBL31325644

Cn1c(Nc2c[nH]c3ccccc23)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
TP53 P04637 3/20 0.63
PKM P14618 1/20 0.63
MAPK1 P28482 1/20 0.63
MAPT P10636 8/20 0.59
ALDH1A1 P00352 6/20 0.59
LMNA P02545 5/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 3/20 0.59
MEN1 O00255 3/20 0.59
HPGD P15428 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
GAA P10253 2/20 0.59
POLB P06746 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL22717643 1.00 RAB9A (0.63) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL24995946 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL20715318 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL20918168 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL6654114 0.73 ATM (0.52) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1853438 0.72 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL22717647 0.71 GAA (0.59) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL31325652 0.71 GAA (0.59) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL734714 0.70 NPC1 (0.64) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL24997095 0.70 RAF1 (0.43) RAB9ANPC1SMN1; SMN2TP53PKM

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-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 CN claimed