SCHEMBL11269706

SCHEMBL11269706

O=C(NC(=O)N1CCOC(=S)C1)c1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.40
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
AKR1C3 P42330 1/20 0.39
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11262402 0.75 KMT2A (0.54) MAPTSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL11269709 0.75 MAPT (0.56) MAPTSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL2072292 0.67 SMN1; SMN2 (0.70) MAPTSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL931481 0.66 NAPRT (0.60) MAPTSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL31295356 0.66 NAPRT (0.60) MAPTSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL103123 0.66 RAB9A (0.61) MAPTSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL1725139 0.64 NAPRT (0.62) SMN1; SMN2POLBRAB9AGAANAPRT
SCHEMBL28477730 0.63 RAB9A (0.62) SMN1; SMN2ALDH1A1HPGDRAB9ANAPRT
SCHEMBL2981251 0.63 NAPRT (0.60) MAPTSMN1; SMN2POLBALDH1A1RAB9A
SCHEMBL13360508 0.63 NAPRT (0.60) MAPTSMN1; SMN2POLBALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004187-B1 HETEROCYCLYLCARBONYL DERIVATIVES OF UREA AND THEIR USE AS AGENTS FOR DISSOLUTION OF GALLSTONES PFIZER INC. (US) 1982-03-17 EP claimed