SCHEMBL8701411

SCHEMBL8701411

CCc1cc(NC(=O)N2CCN(c3ccccc3OC)CC2C)c(OC)nc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 2/20 0.47
RBP4 P02753 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
ROCK2 O75116 2/20 0.40
PRKG1 Q13976 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8699355 0.90 CHRM4 (0.45) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL8701100 0.86 MAPT (0.39) TACR3MEN1KMT2AMAPTALDH1A1
SCHEMBL8705983 0.85 MAPT (0.57) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL8700086 0.83 RBP4 (0.47) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL8701406 0.80 KMT2A (0.64) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL6963593 0.79 MAPT (0.54) RBP4KMT2AMAPTALDH1A1HSD17B10
SCHEMBL8704176 0.79 MAPT (0.55) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL8704504 0.79 MAPT (0.54) RBP4MEN1KMT2AMAPTALDH1A1
SCHEMBL6652670 0.79 PHGDH (0.58) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL9057833 0.79 RBP4 (0.50) RBP4MEN1KMT2AMAPTALDH1A1

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-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed