SCHEMBL31069256

SCHEMBL31069256

O=C(N[C@H]1COc2ccc(Cl)cc2C1)c1nc2n(c1-c1ccccn1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.40
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
GRM5 P41594 4/20 0.36
MCHR1 Q99705 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
SCN9A Q15858 1/20 0.35
DNM1L O00429 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
P2RX7 Q99572 1/20 0.34
NSD2 O96028 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL23645566 1.00 TGFBR1 (0.40) TGFBR1LMNAPOLBTP53MAPT
SCHEMBL23645565 1.00 TGFBR1 (0.40) TGFBR1LMNAPOLBTP53MAPT
SCHEMBL23645382 0.86 MAPT (0.42) LMNAPOLBTP53MAPTTRPV1
SCHEMBL31069238 0.86 MAPT (0.42) LMNAPOLBTP53MAPTTRPV1
SCHEMBL23645385 0.86 MAPT (0.42) LMNAPOLBTP53MAPTTRPV1
SCHEMBL23645366 0.71 TGFBR1 (0.49) TGFBR1LMNATP53NPC1RAB9A
SCHEMBL31069264 0.71 TGFBR1 (0.49) TGFBR1LMNATP53NPC1RAB9A
SCHEMBL29724054 0.67 TGFBR1 (0.53) TGFBR1LMNATP53NPC1RAB9A
SCHEMBL29724051 0.67 TGFBR1 (0.52) TGFBR1LMNATP53NPC1RAB9A
SCHEMBL29724057 0.66 TGFBR1 (0.55) TGFBR1LMNATP53NPC1RAB9A

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-112689636-B Novel heteroatom aromatic amide derivative and pharmaceutical agent containing same 科研制药株式会社 2024-08-20 CN disclosed