SCHEMBL9529304

SCHEMBL9529304

O=C(CSc1ccc(Cl)cc1)N1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.97
SMN1; SMN2 Q16637 5/20 0.97
KMT2A Q03164 4/20 0.97
HPGD P15428 5/20 0.73
NPC1 O15118 2/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
FKBP1A P62942 2/20 0.73
ALDH1A1 P00352 5/20 0.64
GAA P10253 1/20 0.64
PKM P14618 1/20 0.57
NPSR1 Q6W5P4 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55

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
SCHEMBL3457093 0.84 RAB9A (1.00) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL16679281 0.84 RAB9A (0.69) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL9527356 0.84 RAB9A (0.69) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL12503286 0.83 FKBP1A (0.71) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL4379195 0.79 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL5060901 0.79 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL31329299 0.77 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL6212172 0.76 MGLL (0.63) RAB9ASMN1; SMN2KMT2AFKBP1AALDH1A1
SCHEMBL9528958 0.75 HPGD (0.70) RAB9ASMN1; SMN2KMT2AHPGDNPC1
SCHEMBL7883314 0.74 PKM (0.79) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1

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