SCHEMBL8773780

SCHEMBL8773780

CCCCCCCCCc1cc(/N=N/c2ccc(OC)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ESR1 P03372 1/20 0.35
PKM P14618 1/20 0.35
PLK1 P53350 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8773786 1.00 PTGS2 (0.40) PTGS2MEN1KMT2AMAPTCRHBP
SCHEMBL11876393 0.81 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11876401 0.81 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9817551 0.79 KMT2A (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1336669 0.78 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13021497 0.77 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL9184599 0.77 NR5A2 (0.38) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9184596 0.77 NR5A2 (0.38) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10340171 0.77 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13021477 0.77 MEN1 (0.35) MEN1KMT2AMAPTALDH1A1LMNA

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-5675015-A Process for the preparation of benzotriazole derivatives EASTMAN KODAK COMPANY (US) 1997-10-07 US disclosed
EP-0794179-A1 Process for the preparation of benzotriazole derivatives EASTMAN KODAK COMPANY (US) 1997-09-10 EP disclosed