SCHEMBL10436634

SCHEMBL10436634

COc1ccc(NC(=O)Nc2ccc(Cl)c(-c3ccnc4ccccc34)c2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
MAPT P10636 6/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
KDR P35968 6/20 0.50
PDGFRA P16234 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
BRAF P15056 1/20 0.49
POLB P06746 1/20 0.49
NTRK1 P04629 1/20 0.48
NTRK2 Q16620 1/20 0.48

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
SCHEMBL10436792 0.81 HTR2C (0.53) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL10436769 0.81 HTR2C (0.56) HTR2CHTR2BMAPTALDH1A1MEN1
SCHEMBL10436783 0.80 HTR2C (0.54) HTR2CHTR2BMEN1KMT2AKDR
SCHEMBL10436636 0.78 HTR2C (0.49) HTR2CHTR2BMAPTALDH1A1MEN1
SCHEMBL10436793 0.77 PDGFRA (0.63) HTR2CHTR2BMAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL7664592 0.76 HTR2C (0.98) HTR2CHTR2BMAPTALDH1A1MEN1
SCHEMBL7370903 0.74 HTR2C (0.70) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL7375771 0.73 HTR2C (0.81) HTR2CHTR2BMAPTALDH1A1MEN1
SCHEMBL7447310 0.73 HTR2C (0.67) HTR2CHTR2BMAPTALDH1A1MEN1
SCHEMBL7659932 0.73 HTR2C (0.67) HTR2CHTR2BMAPTALDH1A1MEN1

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
EP-0354994-A2 Quinoline derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-02-21 EP disclosed