SCHEMBL11837367

SCHEMBL11837367

Cc1ccc(Cl)nc1Cc1ccccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.37
CYP19A1 P11511 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLAU P00749 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
NPBWR1 P48145 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11833453 0.86 CYP19A1 (0.39) ALDH1A1CYP19A1TLR8TLR7NPSR1
SCHEMBL11840566 0.85 CYP19A1 (0.38) ALDH1A1CYP19A1TLR8TLR7NPSR1
SCHEMBL11832742 0.82 CYP19A1 (0.36) ALDH1A1CYP19A1TLR8TLR7NPSR1
SCHEMBL11844643 0.82 IMPDH2 (0.41) TSHRALDH1A1PLAUHSD17B10L3MBTL1
SCHEMBL11840001 0.80 TLR8 (0.40) TSHRALDH1A1CYP19A1TLR8TLR7
SCHEMBL11845478 0.79 AR (0.37) ALDH1A1CYP19A1PLAU
SCHEMBL11838169 0.78 TLR8 (0.39) TSHRALDH1A1TLR8TLR7NPSR1
SCHEMBL11833732 0.77 ALDH1A1 (0.43) TSHRALDH1A1CYP19A1CYP2C9TDP1
SCHEMBL11832940 0.77 TLR8 (0.38) ALDH1A1TLR8TLR7CYP1A2CYP2C9
SCHEMBL11840151 0.75 ALDH1A1 (0.43) ALDH1A1TLR8TLR7PLAU

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-3956344-A Process for the production of substituted 2-benzoylpyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-05-11 US disclosed