SCHEMBL28917337

SCHEMBL28917337

CC(COc1c(Br)cccc1Br)OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SCN4A P35499 7/20 0.38
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ SCN1A P35498 2/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ SCN9A Q15858 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ KCNK3 O14649 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ KCNK2 O95069 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
SCHEMBL28917335 1.00 LMNA (0.40) LMNACYP2C9TSHRCHRM2CHRM4
SCHEMBL21834931 0.84 SCN4A (0.57) LMNACYP2C9TSHRMAPTSCN4A
SCHEMBL7469831 0.83 KMT2A (0.49) LMNAMAPTCYP1A2HTTSMN1; SMN2
SCHEMBL7469838 0.83 KMT2A (0.49) LMNAMAPTCYP1A2HTTSMN1; SMN2
SCHEMBL29168977 0.79 HSD17B10 (0.50) LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL29168975 0.79 HSD17B10 (0.50) LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL28602971 0.78 MAPT (0.36) LMNAMAPTCYP2D6SCN9ATHRA
SCHEMBL31460425 0.77 MAPT (0.47) MAPTCYP1A2HTTSMN1; SMN2KDM4E
SCHEMBL26662208 0.77 MAPT (0.47) MAPTCYP1A2HTTSMN1; SMN2KDM4E
SCHEMBL16012976 0.77 LMNA (0.55) LMNAMAPTSCN4ACYP1A2CYP2D6

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-112920183-A Compounds as KRAS-G12C inhibitors and uses thereof 南京圣和药业股份有限公司 2021-06-08 — — CN disclosed
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