SCHEMBL11840357

SCHEMBL11840357

Cn1c([N+](=O)[O-])cnc1-c1nc(CCl)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ LMNA P02545 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ TDP1 Q9NUW8 5/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL11845655 0.87 LMNA (0.44) CYP2C19ALDH1A1LMNAGAAMAPK1
SCHEMBL11843061 0.81 GFER (0.35) ALDH1A1LMNARAB9ANPC1GAA
SCHEMBL11843047 0.81 LMNA (0.46) CYP2C19ALDH1A1LMNARAB9ANPC1
SCHEMBL11838298 0.78 MAPT (0.38) CYP2C19ALDH1A1LMNAGAAMAPK1
SCHEMBL11835625 0.78 LMNA (0.40) CYP2C19ALDH1A1LMNARAB9AGAA
SCHEMBL11835173 0.77 RAB9A (0.41) CYP2C19ALDH1A1LMNARAB9ANPC1
SCHEMBL11846064 0.76 CA2 (0.44) LMNAKDM4ESMN1; SMN2MAPTCA1
SCHEMBL11846058 0.73 EGFR (0.34) ALDH1A1LMNARAB9ANPC1GAA
SCHEMBL11844761 0.72 RXFP1 (0.36) CYP2C19ALDH1A1LMNARAB9AGAA
SCHEMBL11844768 0.71 RXFP1 (0.35) CYP2C19RXFP1

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-3989690-A ANTI-PARASITIC AGENTS ACTIVE AGAINST TRYPANOSOMIDAE LILLY INDUSTRIES, LTD. (EN) 1976-11-02 — — US disclosed
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