SCHEMBL11264857

SCHEMBL11264857

Cn1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2c2oc(C(=O)O)cc(=O)c21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.50
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 1/20 0.35
CREBBP Q92793 1/20 0.34
MEN1 O00255 3/20 0.34
APOBEC3G Q9HC16 1/20 0.34
PKM P14618 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11276735 0.81 GPR35 (0.47) GPR35LMNAALDH1A1POLBMAPT
SCHEMBL11275323 0.80 GPR35 (0.33) GPR35LMNAALDH1A1POLBMAPT
SCHEMBL21093603 0.75 MAPT (0.51) GPR35CYP1A2CYP2C9LMNAALDH1A1
SCHEMBL11278189 0.69 KDM4E (0.50) GPR35CYP1A2LMNAALDH1A1KDM4E
SCHEMBL4250005 0.67 GPR35 (1.00) GPR35LMNAALDH1A1KDM4E
SCHEMBL11274923 0.67 GPR35 (0.43) GPR35POLBMAPTKMT2AHTT
SCHEMBL19744203 0.66 GPR35 (0.65) GPR35
SCHEMBL11270041 0.66 ALDH1A1 (0.53) GPR35ALDH1A1KMT2AKDM4E
SCHEMBL4252552 0.65 ALDH1A1 (0.60) GPR35ALDH1A1POLBKDM4E
SCHEMBL7889310 0.65 GPR35 (0.47) GPR35CYP1A2CYP2C9LMNAALDH1A1

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
US-4316904-A Indolopyrone tetrazoles and carboxamidotetrazoles having antiallergic activity WARNER-LAMBERT COMPANY 1982-02-23 US disclosed