SCHEMBL9317294

SCHEMBL9317294

S=C(NC1CCCCC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
LMNA P02545 6/20 0.63
MAPT P10636 5/20 0.63
NPC1 O15118 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
ALOX12 P18054 2/20 0.56
GAA P10253 2/20 0.54
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PTPN7 P35236 2/20 0.53
DUSP3 P51452 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
EPHX2 P34913 2/20 0.50
EPHX1 P07099 1/20 0.50

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
SCHEMBL28975687 0.90 RAB9A (0.51) RAB9ALMNAMAPTNPC1MEN1
4-Chloro-Benzoic Acid SCHEMBL9317283 0.83 RAB9A (0.53) RAB9ALMNAMAPTNPC1MEN1
4-Chloro-Benzoic Acid SCHEMBL9316619 0.83 RAB9A (0.53) RAB9ALMNAMAPTNPC1MEN1
4-Chloro-Benzoic Acid SCHEMBL9317287 0.81 RAB9A (0.51) RAB9ALMNAMAPTNPC1MEN1
4-Chloro-Benzoic Acid SCHEMBL9316624 0.81 RAB9A (0.51) RAB9ALMNAMAPTNPC1MEN1
SCHEMBL19357079 0.79 RAB9A (0.65) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL16108484 0.78 RAB9A (1.00) RAB9ALMNANPC1KMT2AHTT
SCHEMBL31441863 0.78 RAB9A (0.58) RAB9ALMNANPC1MEN1KMT2A
SCHEMBL28236161 0.78 MAPT (0.67) RAB9ALMNAMAPTNPC1MEN1
SCHEMBL27931447 0.78 RAB9A (0.58) RAB9ALMNANPC1MEN1KMT2A

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
US-5354514-A Heating mixture of thioamide compound and copper- or lead-containing compound JUJO PAPER CO., LTD. (JP) 1994-10-11 US disclosed
EP-0351875-A2 Composition for the preparation of a near IR absorbing material and molded articles containing this composition or this material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1990-01-24 EP disclosed
US-4399075-A Process for producing chlorinated phenoxytoluene derivatives ASAHI CHEMICAL COMPANY, LIMITED (JP) 1983-08-16 US disclosed