SCHEMBL9687104

SCHEMBL9687104

CC(C#N)c1ccc(Cl)nn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
GAA P10253 8/20 0.56
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 1/20 0.40
PDE4B Q07343 2/20 0.35
PDE4D Q08499 1/20 0.35
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL2600116 0.76 ALDH1A1 (0.46) ALDH1A1GAALMNAL3MBTL1KMT2A
SCHEMBL9686431 0.76 ALDH1A1 (0.33) ALDH1A1GAALMNAL3MBTL1NPC1
SCHEMBL26693998 0.76 ALDH1A1 (0.54) ALDH1A1GAALMNAL3MBTL1KMT2A
SCHEMBL29837774 0.76 ALDH1A1 (0.54) ALDH1A1GAALMNAL3MBTL1KMT2A
SCHEMBL24634836 0.72 ALDH1A1 (0.43) ALDH1A1GAALMNAL3MBTL1KMT2A
SCHEMBL20233507 0.72 ALDH1A1 (0.43) ALDH1A1GAALMNAL3MBTL1KMT2A
SCHEMBL2183871 0.72 L3MBTL1 (0.57) ALDH1A1GAAL3MBTL1
SCHEMBL23879237 0.71 ALDH1A1 (0.63) ALDH1A1GAALMNAL3MBTL1KMT2A
SCHEMBL11470644 0.71 ALDH1A1 (0.76) ALDH1A1GAALMNAL3MBTL1PDE4B
SCHEMBL30452159 0.70 ALDH1A1 (0.73) ALDH1A1GAALMNAL3MBTL1KMT2A

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