SCHEMBL10904420

SCHEMBL10904420

COc1ccccc1-n1ccnc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
HCAR1 Q9BXC0 1/20 0.44
AVPR2 P30518 1/20 0.44
AVPR1A P37288 1/20 0.44
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MGLL Q99685 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 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
SCHEMBL9731132 0.82 KCNN4 (0.47) GAASMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL7426505 0.79 CYP1A2 (0.59) GAASMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL14428964 0.78 CYP3A4 (0.50) CYP2E1CYP3A4CYP2A6HCAR1L3MBTL1
SCHEMBL8502061 0.78 CYP3A4 (0.47) SMN1; SMN2CYP2E1CYP3A4CYP2A6ALDH1A1
SCHEMBL15218939 0.78 NR4A1 (0.54) GAASMN1; SMN2CYP2E1CYP3A4CYP2A6
SCHEMBL175160 0.78 ICMT (0.37) SMN1; SMN2MEN1KMT2ACYP2E1CYP3A4
SCHEMBL14237644 0.77 MAOA (0.41) GAAMEN1KMT2ACYP3A4LMNA
SCHEMBL15921015 0.75 SMN1; SMN2 (0.42) GAASMN1; SMN2MEN1KMT2AHCAR1
SCHEMBL15921161 0.75 SMN1; SMN2 (0.42) GAASMN1; SMN2MEN1KMT2AHCAR1
SCHEMBL19029697 0.75 CYP3A4 (0.47) CYP2E1CYP3A4CYP2A6HCAR1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602031-A Anti-depressant imidazoles, compositions and use EISAI CO., LTD. (JP) 1986-07-22 US disclosed
US-4533669-A NONTOXIC EISAI CO., LTD. (JP) 1985-08-06 US disclosed
US-4402966-A Acylaminophenyl imidazoles and anti-depressing agent containing the same EISAI CO., LTD. (JP) 1983-09-06 US disclosed
US-4301169-A Novel imidazole compound and anti-depressing agent containing the same EISAI CO., LTD. (JP) 1981-11-17 US disclosed