SCHEMBL8436464

SCHEMBL8436464

CC1=C(C#N)C(=C(C#N)C#N)NC(O)=C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.51
▸ RCE1 Q9Y256 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ GPR35 Q9HC97 6/20 0.35
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL8308242 0.79 KDM4E (0.32) RXFP1RCE1KDM4E
SCHEMBL7157767 0.68 RXFP1 (0.47) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL30779734 0.67 RXFP1 (0.46) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL1473085 0.67 RXFP1 (0.46) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL14357456 0.61 RXFP1 (0.43) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL10078621 0.58 ALDH1A1 (0.42) RXFP1RCE1KDM4EMEN1KMT2A
SCHEMBL19488236 0.57 EGFR (0.35) RXFP1RCE1KDM4E
SCHEMBL5804481 0.56 KDM4E (0.38) RXFP1RCE1KDM4EGPR35ALDH1A1
SCHEMBL26645957 0.56 RXFP1 (0.38) RXFP1RCE1KDM4EMEN1PRNP
SCHEMBL14357457 0.55 KDM4E (0.44) RXFP1RCE1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955615-A COUPLERS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-21 — — US disclosed
US-5808015-A RED FIBER REACTIVE, ACID DYES FOR CELLULOSE FIBERS, COTTON, WOOL, SILK, POLYAMIDES, POLYESTERS, POLYOLEFINS AND POLYACRYLONITRILE; COLORFASTNESS; BRIGHTNESS; TRIAZINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 — — US disclosed
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