SCHEMBL9707178

SCHEMBL9707178

O=C(CCSc1cc(Cl)c(O)c(Cl)c1)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.63
NPC1 O15118 8/20 0.63
HPGD P15428 6/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 10/20 0.60
ALDH1A1 P00352 9/20 0.60
MAPT P10636 7/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL9814000 0.87 SMN1; SMN2 (0.63) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9512386 0.87 SMN1; SMN2 (0.49) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL10351951 0.82 L3MBTL1 (0.43) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9510623 0.81 HTR7 (0.54) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9511571 0.80 HTR7 (0.53) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL9707036 0.79 ALDH1A1 (0.57) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL3457093 0.78 RAB9A (1.00) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9707085 0.77 SMN1; SMN2 (0.68) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9707078 0.77 ACE (0.49) RAB9ANPC1HPGDCYP1A2CYP3A4
SCHEMBL9707160 0.76 ALDH1A1 (0.53) RAB9ANPC1HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 EP disclosed
US-4981853-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & CO. (US) 1991-01-01 US disclosed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 US disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 EP disclosed