SCHEMBL8946790

SCHEMBL8946790

CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc(N2CCN(C)CC2)nc1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.42
CDK6 Q00534 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CDK11A Q9UQ88 1/20 0.42
LPAR1 Q92633 2/20 0.41
HRH4 Q9H3N8 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CCNK O75909 1/20 0.39
CCND3 P30281 1/20 0.39
LCK P06239 2/20 0.39
HCK P08631 2/20 0.39
SRC P12931 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMO Q99835 2/20 0.38

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
SCHEMBL8946575 0.93 MEN1 (0.43) LPAR1MAPTSMOPTPN11
SCHEMBL8946495 0.92 MEN1 (0.42) LPAR1MAPTPTPN11
SCHEMBL8946722 0.90 PIK3CA (0.44) LPAR1MAPTLCKCYP1A2CYP3A4
SCHEMBL8946840 0.87 TP53 (0.42) CDK9CDK6CCNT1CDK4CCND1
SCHEMBL8946668 0.81 LPAR1 (0.47) LPAR1
SCHEMBL8946359 0.81 NTRK1 (0.53) LPAR1
SCHEMBL8946569 0.80 LPAR1 (0.46) LPAR1
SCHEMBL8946528 0.80 LMNA (0.41) MAPTSMOPTPN11
SCHEMBL8946618 0.79 L3MBTL1 (0.51) LPAR1CYP1A2
SCHEMBL8946727 0.79 LMNA (0.43) TP53MAPT

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-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed