SCHEMBL13690053

SCHEMBL13690053

C=C(C)c1c(Cl)cccc1NC(=O)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ RAB9A P51151 1/20 0.54
▸ KDR P35968 1/20 0.52
▸ PABPC1 P11940 1/20 0.51
▸ EIF4H Q15056 1/20 0.51
▸ CASP3 P42574 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ PTGES O14684 1/20 0.47
▸ SLC16A3 O15427 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47

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
SCHEMBL8279069 0.88 HPGD (0.68) HPGDCYP1A2CYP2C19RAB9AKDR
SCHEMBL28729711 0.84 CYP1A2 (0.53) HPGDCYP1A2CYP2C19RAB9APOLB
SCHEMBL11594362 0.79 CYP1A2 (0.68) HPGDCYP1A2CYP2C19RAB9AKDR
SCHEMBL13690060 0.78 PDK1 (0.50) POLBMEN1KMT2AHTTLMNA
SCHEMBL11155741 0.75 PBRM1 (0.58) HPGDCYP1A2CYP2C19RAB9APOLB
SCHEMBL20275216 0.75 ALDH1A1 (0.46) HPGDCYP1A2CYP2C19POLBALDH1A1
SCHEMBL31125356 0.75 ALDH1A1 (0.41) HPGDCYP1A2CYP2C19POLBALDH1A1
SCHEMBL9273411 0.75 ALDH1A1 (0.41) HPGDCYP1A2CYP2C19POLBALDH1A1
SCHEMBL9833874 0.74 CYP1A2 (0.77) HPGDCYP1A2CYP2C19RAB9AKDR
SCHEMBL1514283 0.74 HPGD (0.77) HPGDCYP1A2CYP2C19RAB9AKDR

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-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 — — US disclosed
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