SCHEMBL11630367

SCHEMBL11630367

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ERN1 O75460 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
CES2 O00748 1/20 0.41
MAPT P10636 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
HKDC1 Q2TB90 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
SCHEMBL11627299 0.85 KMT2A (0.43) KMT2AMEN1ERN1ALDH1A1LMNA
SCHEMBL1509253 0.81 CA1 (0.56) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL27738271 0.79 CRHBP (0.50) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL5061932 0.78 EIF4E (0.49) EIF4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL27759110 0.76 CRHBP (0.51) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL4346976 0.75 EIF4E (0.55) EIF4EERN1ALDH1A1
SCHEMBL7822479 0.74 ALDH1A1 (0.50) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL11571696 0.73 MEN1 (0.46) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL10528832 0.71 HKDC1 (0.71) KMT2AMEN1CA1CA2ALDH1A1
3,5-Dinitrosalicylic Acid SCHEMBL28403510 0.71 GPR35 (0.59) KMT2AMEN1CA1CA2ALDH1A1

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-4066454-A ELECTROPHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL CONTAINING INDENOTHIOPHENONE OR ITS DERIVATIVE AND PROCESS OF PREPARING INDENOTHIOPHENONE AND ITS DERIVATIVE KABUSHIKI KAISHA RICOH (JA) 1978-01-03 US disclosed
US-3987060-A ELECTROPHOTOGRAPHIC SENSITIZERS KABUSHIKI KAISHA RICOH (JA) 1976-10-19 US disclosed