SCHEMBL31675799

SCHEMBL31675799

N[C@@H](Cc1c[nH]c2c([N+](=O)[O-])cc(Br)cc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRA P18433 1/20 0.55
▸ CYP2C19 P33261 1/20 0.53
▸ TNF P01375 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ BLM P54132 3/20 0.45
▸ PMP22 Q01453 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45

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
SCHEMBL26693345 0.82 KMT2A (0.51) PTPRACYP2C19TNFKMT2AKDM4E
SCHEMBL5079577 0.82 KMT2A (0.51) PTPRACYP2C19TNFKMT2AKDM4E
SCHEMBL30678179 0.82 KMT2A (0.51) PTPRACYP2C19TNFKMT2AKDM4E
SCHEMBL18029025 0.81 PTPRA (0.55) PTPRACYP2C19KMT2AKDM4ELMNA
SCHEMBL18000132 0.81 PTPRA (0.55) PTPRACYP2C19KMT2AKDM4ELMNA
SCHEMBL18000133 0.81 PTPRA (0.55) PTPRACYP2C19KMT2AKDM4ELMNA
SCHEMBL5279241 0.81 PTPRA (0.57) PTPRACYP2C19TNFKMT2AKDM4E
SCHEMBL30852767 0.81 PTPRA (0.57) PTPRACYP2C19TNFKMT2AKDM4E
SCHEMBL19897941 0.81 PTPRA (0.57) PTPRACYP2C19TNFKMT2AKDM4E
SCHEMBL19911037 0.80 TNF (0.58) PTPRACYP2C19TNFKMT2AKDM4E

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-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 — — US disclosed
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