SCHEMBL10428640

SCHEMBL10428640

O=C(Cl)n1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.52
AMY1A P0DUB6 3/20 0.52
GAA P10253 3/20 0.52
SI P14410 3/20 0.52
MGAM2 Q2M2H8 3/20 0.52
FAAH O00519 3/20 0.47
MGLL Q99685 3/20 0.47
TGM2 P21980 1/20 0.47
NSD2 O96028 2/20 0.44
KCNMA1 Q12791 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4957750 0.87 MGAM (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL4957753 0.87 MGAM (0.53) MGAMAMY1AGAASIMGAM2
SCHEMBL19911566 0.85 MGAM (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL19911551 0.82 MGAM (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL27627284 0.78 ALDH1A1 (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL10428731 0.76 KCNMA1 (0.61) MGAMAMY1AGAASIMGAM2
SCHEMBL6818351 0.76 MGAM (0.44) MGAMAMY1AGAASIMGAM2
SCHEMBL19911542 0.75 MAPT (0.47) MGAMAMY1AGAASIMGAM2
SCHEMBL8424662 0.75 ALDH1A1 (0.46) MGAMAMY1AGAASIMGAM2
SCHEMBL210082 0.75 NSD2 (0.61) NSD2ALDH1A1TXNRD1TXNRD3TXNRD2

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-4942248-A CARBAMYLATION OF AMINO ACIDS BY REACTION WITH TERT-ALKYL ESTER A OF 1H-BENZOTRIAZOLE-1-CARBOXYLIC ACID TO FOR BLOCKED AMINO GROUP PPG INDUSTRIES, INC. (US) 1990-07-17 US disclosed