SCHEMBL9686431

SCHEMBL9686431

CC(C#N)c1ccc(O)nn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
GAA P10253 5/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9974759 0.76 CHRNA7 (0.35) LMNA
SCHEMBL9687104 0.76 ALDH1A1 (0.56) ALDH1A1GAANPC1POLBRAB9A
SCHEMBL154932 0.66
SCHEMBL29740320 0.66
Ammonia Solution, Strong SCHEMBL22960694 0.64
SCHEMBL22960695 0.64
SCHEMBL22960697 0.64
SCHEMBL15612244 0.63 S1PR3 (0.36) ALDH1A1
SCHEMBL21603306 0.63
SCHEMBL22275828 0.61 SMN1; SMN2 (0.49) ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027448-C Heterocyclic neophenan analogs and their use as anti-inflammatory agents HOECHST AG (DE) 1995-01-18 CN disclosed
CN-1091425-A Heterocyclic neophenan analogs, process for their preparation and their use as pesticides HOECHST AG (DE) 1994-08-31 CN disclosed
EP-0288810-B1 HETEROCYCLIC NEOPHANE ANALOGS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed
US-4966902-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
EP-0288810-A1 Heterocyclic neophane analogs, processes for their preparation and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed
CN-88102112-A Heterocyclic neophenan analogs, process for their preparation and their use as pesticides 1988-10-26 CN disclosed