SCHEMBL31364013

SCHEMBL31364013

CCCCCC(C)c1nccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
CYP2A6 P11509 1/20 0.42
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
UTS2R Q9UKP6 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
SCHEMBL31364072 0.98 LMNA (0.44) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL19565945 0.98 LMNA (0.44) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL28771178 0.98 LMNA (0.44) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL29249930 0.95 LMNA (0.46) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL29249917 0.89 LMNA (0.49) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL28940999 0.86 LMNA (0.46) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL31364124 0.84 LMNA (0.44) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL11266782 0.82 LMNA (0.51) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL31364017 0.79 LMNA (0.45) LMNANPC1RAB9ACYP2A6MAPT
SCHEMBL31364053 0.79 LMNA (0.45) LMNANPC1RAB9ACYP2A6MAPT

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-119638622-A Photocatalytic alkane C (sp)3) Method for activating H bond and constructing C-C bond with aza arene 中国科学院理化技术研究所 2025-03-18 CN disclosed