SCHEMBL11169944

SCHEMBL11169944

O=C(O)c1cc([N+](=O)[O-])cc2c1Cc1c(ccc(Cl)c1Cl)[S+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ PMP22 Q01453 1/20 0.38

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
SCHEMBL11164835 0.82 HSP90AA1 (0.39) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL10939109 0.78 HSP90AA1 (0.45) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL11077351 0.78 HSP90AA1 (0.40) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL11176919 0.75 AKR1C3 (0.44) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL13531820 0.72 ALDH1A1 (0.54) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL2034609 0.71 ALDH1A1 (0.64) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL6392429 0.70 KMT2A (0.61) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL231222 0.68 KMT2A (0.63) KMT2AMAPTSMN1; SMN2MEN1LMNA
Hydrochloric Acid SCHEMBL6202524 0.67 KMT2A (0.61) KMT2AMAPTSMN1; SMN2MEN1LMNA
SCHEMBL8450902 0.67 KMT2A (0.61) KMT2AMAPTSMN1; SMN2MEN1LMNA

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-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 — — US disclosed
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