SCHEMBL9696657

SCHEMBL9696657

C=CC(C#N)n1ccc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.37
▸ SLC6A2 P23975 13/20 0.36
▸ CDK4 P11802 4/20 0.35
▸ CCND1 P24385 4/20 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
SCHEMBL3471410 0.75 SLC6A2 (0.43) SLC6A4SLC6A2CDK4CCND1
SCHEMBL4382022 0.74 SLC6A4 (0.43) SLC6A4SLC6A2CDK4CCND1
SCHEMBL6100232 0.74 SLC6A4 (0.46) SLC6A4SLC6A2CDK4CCND1
SCHEMBL3259098 0.74 SLC6A4 (0.43) SLC6A4SLC6A2CDK4CCND1
SCHEMBL9337141 0.70 KMT2A (0.44) SLC6A4SLC6A2
SCHEMBL22449509 0.68 SLC6A2 (0.40) SLC6A4SLC6A2CDK4CCND1
SCHEMBL27575336 0.67 SLC6A2 (0.45) SLC6A4SLC6A2CDK4CCND1
SCHEMBL10643066 0.67 SLC6A4 (0.57) SLC6A4SLC6A2
SCHEMBL9235062 0.67 SLC6A4 (0.35) SLC6A4SLC6A2CDK4CCND1
SCHEMBL8112459 0.67 SLC6A2 (0.44) SLC6A4SLC6A2CDK4CCND1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5090405-A Polyether, siloxane, urethane block polymers BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 — — US disclosed
US-5047293-A CONSISTING OF POLYISOCYANATE, CATALYST, AND CYCLOSILOXANE BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 — — US disclosed
US-4940047-A POLYURETHANES, ORTHOPEDIC DRESSING BAYER AKTIENGESELLSCHAFT (DE) 1990-07-10 — — US disclosed
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