SCHEMBL11760109

SCHEMBL11760109

Cn1cnc([N+](=O)[O-])c1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 6/20 0.51
GAA P10253 3/20 0.51
CYP2C19 P33261 2/20 0.50
ATM Q13315 1/20 0.48
MAPT P10636 5/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.44
CASP6 P55212 1/20 0.43
GFER P55789 2/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL10711618 0.84 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1GAACYP2C19
SCHEMBL2871452 0.74 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1GAACYP2C19
SCHEMBL5367724 0.72 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1GAACYP2C19
SCHEMBL422634 0.72 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1GAACYP2C19
SCHEMBL19797901 0.72 APOBEC3A (0.41) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL2202785 0.72 APOBEC3A (0.41) ALDH1A1LMNAKMT2A
SCHEMBL13030147 0.72 APOBEC3A (0.49) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL13651663 0.72 APOBEC3A (0.41) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL27774137 0.71 CYP2C19 (0.39) KDM4ESMN1; SMN2ALDH1A1GAACYP2C19
SCHEMBL9453945 0.71 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1GAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4042703-A 4-NITRO-5-CARBAMOYL-IMIDAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1977-08-16 US claimed
US-4042703-A 4-NITRO-5-CARBAMOYL-IMIDAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1977-08-16 US disclosed