SCHEMBL16654075

SCHEMBL16654075

CON(C(=O)c1ccccc1)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
TP53 P04637 2/20 0.51
THRB P10828 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.46
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7692047 0.79 TSHR (0.59) TSHRTP53THRBTRPM8KMT2A
SCHEMBL6316045 0.78 TSHR (0.58) TSHRTP53THRBKMT2ANPC1
SCHEMBL18825315 0.78 HTT (0.40) TP53KMT2ANPC1RAB9AHSD17B10
SCHEMBL6796283 0.77 TSHR (0.50) TSHRTP53THRBTRPM8KMT2A
SCHEMBL6778056 0.77 KMT2A (0.56) TSHRKMT2ANPC1RAB9AHTT
SCHEMBL14636838 0.77 TP53 (0.46) TSHRTP53THRBPOLBALDH1A1
SCHEMBL17675195 0.76 TSHR (0.59) TSHRTP53THRBTRPM8KMT2A
SCHEMBL5225088 0.76 TSHR (0.59) TSHRTP53THRBTRPM8KMT2A
SCHEMBL4526462 0.75 HPGD (0.50) TSHRKMT2ANPC1RAB9AHTT
SCHEMBL10840731 0.75 TSHR (0.58) TSHRTP53THRBTRPM8KMT2A

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
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO disclosed