SCHEMBL10363643

SCHEMBL10363643

C=CC(=O)Nc1ccc(-n2ccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
BAZ2B Q9UIF8 1/20 0.53
EGFR P00533 1/20 0.53
HTT P42858 2/20 0.52
ENPP2 Q13822 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
PORCN Q9H237 2/20 0.51
TGM2 P21980 4/20 0.50
LMNA P02545 3/20 0.50
ADH5 P11766 1/20 0.50
F13A1 P00488 1/20 0.50
TGM1 P22735 1/20 0.50
TGM3 Q08188 1/20 0.50
ACP1 P24666 1/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 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
SCHEMBL28236817 0.80 KMT2A (0.68) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL7462893 0.78 CYP3A4 (0.64) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL22661803 0.78 CYP3A4 (0.64) CYP3A4BAZ2BHTTENPP2MKNK1
Hydrochloric Acid SCHEMBL28418939 0.78 KMT2A (0.67) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL29229571 0.77 HTT (0.66) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL10808511 0.77 FGFR1 (0.50) TGM2LMNAF13A1TGM1TGM3
Acrylic Acid SCHEMBL28324903 0.76 CYP3A4 (0.70) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL439369 0.76 TGM2 (0.79) TGM2LMNAF13A1TGM1TGM3
SCHEMBL4912541 0.76 KMT2A (0.61) CYP3A4BAZ2BHTTENPP2MKNK1
SCHEMBL4661827 0.76 CYP3A4 (0.53) CYP3A4BAZ2BHTTENPP2MKNK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207901-B1 ANTIANAPHYLACTIC AND ANTIBRONCHOSPASTIC N-BENZHYDRYLDIAZACYCLOALKYLALKANANILIDES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1990-11-28 EP disclosed
US-4675319-A Antianaphylactic and antibronchospastic piperazinyl-(N-substituted phenyl)carboxamides, compositions and use RECORDATI S. A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1987-06-23 US disclosed
EP-0207901-A1 Antianaphylactic and antibronchospastic N-benzhydryldiazacycloalkylalkananilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1987-01-07 EP disclosed