SCHEMBL31297364

SCHEMBL31297364

C=C[C@]1(Cc2cc(Cl)cc(Cl)c2)Cc2ccccc2N1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACAT2 Q9BWD1 1/20 0.30
TACR1 P25103 1/20 0.30
CXCR5 P32302 1/20 0.30

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
SCHEMBL31297360 0.81 L3MBTL1 (0.36) LMNAHTTNPSR1L3MBTL1
SCHEMBL31297361 0.80 KDM1A (0.40) KMT2A
SCHEMBL31297357 0.77 OPRM1 (0.32) LMNAHTTNPSR1L3MBTL1
SCHEMBL31297355 0.73 KMT2A (0.32) MAPTKMT2A
SCHEMBL31297358 0.72 LMNA (0.36) MAPTHPGDLMNAHTTNPSR1
SCHEMBL31297363 0.72 AR (0.41) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL31297362 0.71 AKR1B1 (0.39) MEN1MAPTHPGDKMT2ATDP1
SCHEMBL24832747 0.64 BRD4 (0.35) MEN1NPC1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL28524749 0.63 HTR5A (0.33) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL31297356 0.61 AHR (0.38)

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-119143652-A Chiral 2-bit disubstituted indoline compound and synthetic method and application thereof 山东大学 2024-12-17 CN disclosed