SCHEMBL11693192

SCHEMBL11693192

N#CNC1CC2C=CC1C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ EPHX2 P34913 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL1238556 0.70 — —
Hydrochloric Acid SCHEMBL7122089 0.68 ALDH1A1 (0.48) GAAALDH1A1TDP1EPHX2KDM4E
SCHEMBL4966380 0.65 — —
SCHEMBL4968723 0.65 — —
SCHEMBL4968794 0.65 — —
SCHEMBL4966691 0.65 — —
SCHEMBL4967809 0.65 — —
SCHEMBL539149 0.65 KDM4E (0.33) GAAALDH1A1TDP1EPHX2KDM4E
SCHEMBL4968692 0.65 — —
SCHEMBL200610 0.65 — —

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-4051256-A ANTIRHINOVIRUS IMPERIAL CHEMICAL INDUSTRIES LIMITED (EN) 1977-09-27 — — US disclosed
US-4013795-A INSECTICIDE, MITICIDE, NEMATOCIDE, FUNGICIDE, BACTERICIDE, RODENTICIDE BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 — — US disclosed
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