SCHEMBL28809262

SCHEMBL28809262

COC(C#N)=CN1c2ccccc2CC1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
MCL1 Q07820 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36
GFER P55789 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL8408150 0.86 ALDH1A1 (0.40) NOTUMALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL28335561 0.86 NOTUM (0.42) NOTUMALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL77023 0.82 NOTUM (0.44) NOTUMALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL77024 0.82 NOTUM (0.44) NOTUMALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL9419477 0.82 CYP1A2 (0.42) NOTUMALDH1A1TSHRKDM4EGAA
SCHEMBL9419480 0.82 CYP1A2 (0.42) NOTUMALDH1A1TSHRKDM4EGAA
SCHEMBL29172566 0.82 NOTUM (0.48) NOTUMALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5566625 0.74 NOTUM (0.38) NOTUMALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL7095410 0.74 NOTUM (0.44) NOTUMALDH1A1TSHRLMNAMAPT
SCHEMBL7659901 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4EMAPTPOLB

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-114867776-A Coated aramid pulp for rubber reinforcement 巴斯夫欧洲公司 2022-08-05 CN disclosed