SCHEMBL11126647

SCHEMBL11126647

CC(N)c1ccccc1.O=C(Cl)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ESRRA P11474 1/20 0.40
▸ GLA P06280 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
SCHEMBL103644 0.83 CTSD (0.65) CTSDALDH1A1TSHRGAASMN1; SMN2
Hydrochloric Acid SCHEMBL10567555 0.81 CTSD (0.62) CTSDALDH1A1TSHRGAASMN1; SMN2
Methane SCHEMBL27284103 0.81 CTSD (0.62) CTSDALDH1A1TSHRGAASMN1; SMN2
Propane SCHEMBL27882256 0.80 CTSD (0.62) CTSDALDH1A1TSHRGAARAB9A
Anthranilic Acid SCHEMBL28874863 0.77 CTSD (0.54) CTSDALDH1A1TSHRGAASMN1; SMN2
Pyridine SCHEMBL3710082 0.76 HTT (0.56) CTSDALDH1A1TSHRNPC1GAA
SCHEMBL27634668 0.73 CTSD (0.57) CTSDALDH1A1TSHRNPC1GAA
Valine SCHEMBL7169984 0.72 TSHR (0.53) CTSDALDH1A1TSHRNPC1GAA
SCHEMBL29172359 0.72 NPC1 (0.59) CTSDALDH1A1TSHRNPC1GAA
SCHEMBL4285030 0.72 LMNA (0.64) CTSDALDH1A1KDM4EMAPTGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078845-A4 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-09-02 — — EP disclosed
EP-0078845-A1 ANTI-CONVULSANT. CLARK CHARLES RANDALL 1983-05-18 — — EP disclosed
WO-1982004046-A1 ANTI-CONVULSANT CLARK CHARLES RANDALL 1982-11-25 — — WO disclosed
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