SCHEMBL11396142

SCHEMBL11396142

O=C(NCCSCc1ccon1)N(S)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 12/20 0.38
HPGD P15428 7/20 0.38
POLB P06746 5/20 0.36
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
RECQL P46063 2/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL11404946 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL11323918 0.77 ALDH1A1 (0.51) SMN1; SMN2LMNAALDH1A1HPGDKMT2A
SCHEMBL10365746 0.74 ACHE (0.64) LMNAKMT2AMAPTCYP2C19MEN1
SCHEMBL11312704 0.72 ACHE (0.42) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL11319088 0.72 IDO1 (0.33) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL10999537 0.71 MAPT (0.38) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL11001538 0.71 ALDH1A1 (0.35) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL11361223 0.69 ALDH1A1 (0.33) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL11226041 0.69 PSMB5 (0.38) SMN1; SMN2LMNAALDH1A1HPGDPOLB
SCHEMBL11226037 0.69 PSMB5 (0.38) SMN1; SMN2LMNAALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed