SCHEMBL30689784

SCHEMBL30689784

COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.43
▸ CFTR P13569 2/20 0.42
▸ SOS1 Q07889 1/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ RORC P51449 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ ADORA3 P0DMS8 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NFKB1 P19838 2/20 0.37

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
SCHEMBL22866327 1.00 NOTUM (0.43) NOTUMCFTRSOS1KMT2AMEN1
SCHEMBL1448201 0.81 ALDH1A1 (0.43) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL31451989 0.81 ALDH1A1 (0.45) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL2152528 0.80 ALDH1A1 (0.48) CFTRKMT2AMEN1HTTSMN1; SMN2
SCHEMBL13987139 0.80 ALDH1A1 (0.50) KMT2AMEN1HTTSMN1; SMN2L3MBTL1
SCHEMBL4196549 0.80 ALDH1A1 (0.45) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL22866318 0.78 ALDH1A1 (0.44) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL15271018 0.78 ALDH1A1 (0.47) KMT2AMEN1HTTSMN1; SMN2GALR3
SCHEMBL6120101 0.78 NOTUM (0.49) NOTUMCFTRSOS1KMT2AMEN1
SCHEMBL22866081 0.77 CFTR (0.52) NOTUMCFTRSOS1ALDH1A1MAPT

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
EP-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 — — EP disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 — — WO disclosed
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