SCHEMBL9528422

SCHEMBL9528422

O=C(CCSc1ccccc1)N1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.97
RAB9A P51151 10/20 0.97
NPC1 O15118 10/20 0.97
ALDH1A1 P00352 9/20 0.97
HPGD P15428 5/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2C19 P33261 1/20 0.73
USP2 O75604 1/20 0.73
MAPT P10636 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
POLB P06746 1/20 0.63
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 3/20 0.56
FKBP1A P62942 1/20 0.51
NAAA Q02083 1/20 0.51

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
SCHEMBL18719831 0.84 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL3457093 0.84 RAB9A (1.00) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL12503286 0.83 FKBP1A (0.71) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL24815875 0.81 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL29986809 0.81 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL9707085 0.81 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL18928678 0.79 NPC1 (0.62) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL25087867 0.76 SMN1; SMN2 (0.84) SMN1; SMN2RAB9ANPC1ALDH1A1USP2
SCHEMBL1540452 0.75 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL1540451 0.75 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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