SCHEMBL9348953

SCHEMBL9348953

O=C(O)Oc1nc2ccccc2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.45
PARP1 P09874 1/20 0.44
GPR3 P46089 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 3/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 3/20 0.40
PDE10A Q9Y233 2/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 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
SCHEMBL377125 0.84 ALDH1A1 (0.52) TSPOHSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL5013121 0.78 HTT (0.45) TSPOCYP1A2HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL6036781 0.77 ALDH1A1 (0.45) TSPOHSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL5183047 0.76 POLB (0.55) HIF1AHSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL18795122 0.76 TDP1 (0.50) TSPOHSD17B10MAPTSMN1; SMN2ALDH1A1
Water SCHEMBL8130350 0.74 POLB (0.53) HIF1AHSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL10970173 0.74 MEN1 (0.50) CYP2C19MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8299332 0.74 RAB9A (0.54) CYP1A2CYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL7048658 0.74 CYP1A2 (0.58) GPR3CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL6564086 0.73 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273115-B1 Chemiluminescent acridinium and phenanthridinium salts ABBOTT LAB (US) 1994-09-07 EP claimed