SCHEMBL11087367

SCHEMBL11087367

CNc1ccc2ccc(OC)cc2c1N=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MTNR1A P48039 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F10 P00742 1/20 0.43
PLAU P00749 1/20 0.41
MPL P40238 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
GSK3B P49841 1/20 0.39
CDK6 Q00534 1/20 0.39
PLK1 P53350 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL11086899 0.89 APOBEC3A (0.42) APOBEC3AAPOBEC3GMTNR1AMAPTSMN1; SMN2
SCHEMBL8188498 0.79 MPL (0.55) APOBEC3AAPOBEC3GMTNR1AMAPTSMN1; SMN2
SCHEMBL8838321 0.75 MTNR1A (0.56) MTNR1ACYP1A2CYP2A6RAB9AKMT2A
SCHEMBL11078414 0.74 IDO1 (0.41) SMN1; SMN2CYP1A2CYP2A6PLK1NPC1
SCHEMBL19382614 0.72 CYP1A2 (0.61) MTNR1AMAPTSMN1; SMN2PLAUCYP1A2
SCHEMBL12831543 0.70 F10 (0.47) MAPTF10CYP1A2CYP2A6NPC1
SCHEMBL20651318 0.70 PLAU (0.43) APOBEC3AAPOBEC3GMTNR1AMAPTSMN1; SMN2
SCHEMBL11695914 0.70 KDM4E (0.36) MAPTSMN1; SMN2POLBRAB9AKMT2A
SCHEMBL10522185 0.69 MEN1 (0.49) APOBEC3AAPOBEC3GMTNR1AMAPTSMN1; SMN2
SCHEMBL4789564 0.68 CYP1A2 (0.56) MTNR1AMAPTSMN1; SMN2PLAUCYP1A2

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
US-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 US disclosed
EP-0012866-B1 NEW 3H-NAPHTHO(1,2-D)IMIDAZOLES, PROCESSES FOR PREPARING THEM, COMPOUNDS FOR USE AS ANTIINFLAMMATORY AND ANTIMICROBIAL AGENTS AND COMPOSITIONS FOR THAT USE CONTAINING THEM GRUPPO LEPETIT S.P.A. (IT) 1983-01-19 EP disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 EP disclosed