SCHEMBL29915930

SCHEMBL29915930

CC1c2ccccc2NC(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.43
GPR3 P46089 1/20 0.43
BRD4 O60885 6/20 0.42
CREBBP Q92793 5/20 0.42
BRPF1 P55201 1/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 1/20 0.37
EP300 Q09472 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL2520126 1.00 HTR5A (0.43) HTR5AGPR3BRD4CREBBPBRPF1
Hydrochloric Acid SCHEMBL5711485 0.98 HTR5A (0.42) HTR5AGPR3BRD4CREBBPBRPF1
SCHEMBL6011276 0.82 CYP2D6 (0.40) ALDH1A1KMT2A
SCHEMBL29915675 0.81 HTR5A (0.43) HTR5AGPR3ALDH1A1KMT2A
SCHEMBL2523848 0.81 HTR5A (0.43) HTR5AGPR3ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5711670 0.79 HTR5A (0.42) HTR5AGPR3ALDH1A1KMT2A
SCHEMBL10061676 0.79 HTR5A (0.42) HTR5AGPR3CREBBPBRPF1IDO1
SCHEMBL30660853 0.77 BRD4 (0.39) HTR5ABRD4CREBBPIDO1ALDH1A1
SCHEMBL11012515 0.76 MAPT (0.37) HTR5ABRD4CREBBPBRPF1IDO1
SCHEMBL11012972 0.76 KDM4E (0.38) HTR5ABRD4CREBBPIDO1ALDH1A1

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-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN disclosed