SCHEMBL7873989

SCHEMBL7873989

Cc1cccc(C)c1C(=O)Nc1ccc(OCCNC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42

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
SCHEMBL7866953 0.85 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1TSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL7862199 0.84 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1TSHRNPC1RAB9A
SCHEMBL7873618 0.80 MEN1 (0.64) SMN1; SMN2KDM4EALDH1A1TDP1EPHX2
Hydrochloric Acid SCHEMBL7866916 0.79 MEN1 (0.63) SMN1; SMN2KDM4EALDH1A1TDP1EPHX2
SCHEMBL7869922 0.77 MAPT (0.56) SMN1; SMN2KDM4EALDH1A1EPHX2MEN1
SCHEMBL7868849 0.77 KDR (0.52) SMN1; SMN2KDM4EALDH1A1HRH3MEN1
Hydrochloric Acid SCHEMBL7868840 0.76 MAPT (0.55) SMN1; SMN2KDM4EALDH1A1EPHX2MEN1
SCHEMBL7866966 0.75 BCAT2 (0.57) SMN1; SMN2KDM4EALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL7867070 0.75 MAPT (0.44) SMN1; SMN2KDM4EALDH1A1TDP1EPHX2
SCHEMBL7866940 0.75 HTT (0.58) SMN1; SMN2KDM4EALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed