SCHEMBL9026992

SCHEMBL9026992

COc1c(Cc2c[nH]c3ccccc23)nc(C)c(C)[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
AHR P35869 4/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9026275 0.86 GPR84 (0.42) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL9026185 0.85 GPR84 (0.41) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL9026979 0.78 GPR84 (0.41) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL9025873 0.78 GPR84 (0.41) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL9026622 0.75 GPR84 (0.42) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL9027409 0.73 MAPT (0.42) GPR84MEN1KMT2AMAPTTDP1
SCHEMBL9026147 0.73 KMT2A (0.40) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL27257491 0.70 MAPT (0.53) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL9027510 0.70 GPR84 (0.46) GPR84MEN1KMT2AAHRCYP3A4
SCHEMBL9025592 0.69 GPR84 (0.45) GPR84MEN1KMT2AAHRCYP3A4

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-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed