SCHEMBL9527356

SCHEMBL9527356

O=C(CSc1ccc(F)cc1)N1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
KMT2A Q03164 2/20 0.69
PKM P14618 3/20 0.60
HPGD P15428 3/20 0.60
GAA P10253 2/20 0.60
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 4/20 0.59
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.53
FKBP1A P62942 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2833292 0.84 L3MBTL1 (0.58) RAB9ASMN1; SMN2KMT2APKMGAA
SCHEMBL9529304 0.84 RAB9A (0.97) RAB9ASMN1; SMN2KMT2APKMHPGD
SCHEMBL16679281 0.84 RAB9A (0.69) RAB9ASMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL4377232 0.83 ALDH1A1 (0.54) RAB9ASMN1; SMN2KMT2APKMGAA
SCHEMBL12503286 0.83 FKBP1A (0.71) RAB9ASMN1; SMN2KMT2APKMHPGD
SCHEMBL4377416 0.82 PKM (0.55) RAB9ASMN1; SMN2KMT2APKMGAA
SCHEMBL4383557 0.79 RAB9A (0.76) RAB9ASMN1; SMN2KMT2APKMHPGD
SCHEMBL4378297 0.78 LMNA (0.61) RAB9ASMN1; SMN2PKMHPGDGAA
SCHEMBL24893033 0.76 PKM (0.61) RAB9ASMN1; SMN2KMT2APKMHPGD
SCHEMBL3170967 0.75 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AHPGDALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed