SCHEMBL27543783

SCHEMBL27543783

CCc1nc(Cl)c(-c2c(F)cccc2Cl)c(N2CCC(C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRPV1 Q8NER1 13/20 0.41
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27543785 0.85 TRPV1 (0.40) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL27543784 0.82 TRPV1 (0.39) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL27564022 0.80 TRPV1 (0.40) TSHRKMT2AMEN1MAPTTRPV1
SCHEMBL14086462 0.74 TRPV1 (0.38) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL3281623 0.74 KMT2A (0.39) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL13385466 0.72 SMO (0.42) TSHRKMT2AMEN1LMNANPSR1
SCHEMBL344327 0.72 TSHR (0.46) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL14500980 0.72 CDK2 (0.35) TSHRALDH1A1LMNAMAPTNPSR1
SCHEMBL5250958 0.72 TRPV1 (0.35) TSHRALDH1A1LMNAMAPTNPSR1
SCHEMBL4814547 0.72 TRPV1 (0.35) TSHRKMT2AMEN1ALDH1A1LMNA

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
CN-1312134-C 5-phenylpyrimidine compounds, compositions comprising them, processes for their preparation and their use BASF AG (DE) 2007-04-25 CN claimed