SCHEMBL11657012

SCHEMBL11657012

CCNc1nc(NC2CC2)cc(SC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MERTK Q12866 5/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ TYRO3 Q06418 4/20 0.37
▸ FLT3 P36888 3/20 0.37
▸ GAS6 Q14393 3/20 0.37
▸ CDK1 P06493 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ AXL P30530 1/20 0.33

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
SCHEMBL11652757 0.79 LMNA (0.42) CYP1A2LMNACYP2D6HTTSMN1; SMN2
SCHEMBL1898299 0.73 LMNA (0.70) CYP1A2LMNACYP2D6HTTSMN1; SMN2
SCHEMBL10593462 0.72 HTT (0.41) CYP1A2LMNAHTTADORA3CYP2C9
SCHEMBL11586399 0.71 LMNA (0.47) CYP1A2LMNASMN1; SMN2CDK5CDK5R1
SCHEMBL11654039 0.69 ESR1 (0.46) CYP1A2LMNACYP2D6HTTSMN1; SMN2
SCHEMBL10898323 0.67 MEN1 (0.44) CYP1A2LMNAHTTADORA3CYP2C9
SCHEMBL14341081 0.65 LMNA (0.42) CYP1A2LMNAHTTMERTKADORA3
SCHEMBL11364615 0.65 ESR1 (0.44) LMNAMAPTKMT2A
SCHEMBL19928665 0.65 HRH4 (0.49) CYP1A2CYP2D6MERTKTYRO3FLT3
SCHEMBL763729 0.65 TLR8 (0.42) CYP2D6SMN1; SMN2CYP2C19KMT2A

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
US-4082535-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1978-04-04 — — US disclosed
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