SCHEMBL27610091

SCHEMBL27610091

NC(O)(Cl)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA1 Q09470 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
KIF11 P52732 3/20 0.34
PLG P00747 1/20 0.34

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
SCHEMBL6930353 0.74 KCNN4 (0.52) LMNAMAPTCYP2D6CYP1A2CYP3A4
SCHEMBL1515567 0.74 KIF11 (0.46) CYP19A1USP2RAB9ALMNAMAPT
SCHEMBL27609994 0.73 CYP19A1 (0.55) CYP19A1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL5720583 0.73 TSHR (0.50) CYP19A1USP2RAB9ALMNAMAPT
Hydrochloric Acid SCHEMBL1919525 0.72 KIF11 (0.44) CYP19A1USP2RAB9ALMNAMAPT
SCHEMBL7265049 0.70 CYP19A1 (0.44) CYP19A1USP2RAB9ALMNAMAPT
SCHEMBL27557013 0.70 USP2 (0.45) CYP19A1USP2RAB9ACYP2D6CYP1A2
SCHEMBL12909254 0.69 KIF11 (0.48) CYP19A1USP2RAB9ALMNAMAPT
SCHEMBL14486637 0.69 KIF11 (0.46) CYP19A1USP2RAB9ALMNAMAPT
SCHEMBL10852484 0.69 KIF11 (0.48) CYP19A1USP2RAB9ALMNAMAPT

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-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN disclosed