SCHEMBL8600211

SCHEMBL8600211

CCCCCc1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
TLR8 Q9NR97 1/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 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
SCHEMBL8566432 0.81 POLB (0.45) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL8595165 0.79 LTB4R (0.49) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8565715 0.79 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8598414 0.78 MAPT (0.47) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8600541 0.78 KDM4E (0.51) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8567246 0.77 MAPT (0.45) ALDH1A1MAPTCYP2C9CYP2C19MEN1
SCHEMBL8601373 0.77 ALDH1A1 (0.46) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8600014 0.77 TXNRD1 (0.49) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL25523587 0.77 CYP1A2 (0.51) ALDH1A1LMNAGAACYP1A2MEN1
SCHEMBL8599261 0.77 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAACYP1A2

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed