SCHEMBL11215787

SCHEMBL11215787

O=[N+]([O-])c1ccc2sc(NCCO)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.73
ACP1 P24666 2/20 0.60
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.50
DYRK1A Q13627 1/20 0.50
POLB P06746 1/20 0.48
STAT1 P42224 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCD O00767 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL11063315 0.92 RIPK1 (0.78) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL11215731 0.81 RIPK1 (0.65) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL5212426 0.81 RIPK1 (0.76) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL21642925 0.80 ACP1 (0.74) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL1066924 0.79 RIPK1 (0.66) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL11875528 0.79 RIPK1 (0.62) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL11074177 0.78 RIPK1 (0.55) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL5310554 0.76 RIPK1 (0.73) RIPK1ACP1MAPTALDH1A1KMT2A
SCHEMBL22000881 0.76 IDO1 (0.60) RIPK1MAPTALDH1A1KMT2ADYRK1A
SCHEMBL11211472 0.75 ACP1 (0.53) RIPK1ACP1MAPTALDH1A1KMT2A

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-0021806-B1 2,3-DIHYDRO-IMIDAZO (2,1-B) BENZOTHIAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-12 EP disclosed
US-4364942-A ANTIDEPRESSANTS, INHIBITORS OF MONOAMINE OXIDASE JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-21 US disclosed
US-4340738-A ENZYME INHIBITORS, ANTIDEPRESSANTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-07-20 US disclosed
US-4262004-A MONOAMINE OXIDASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 1981-04-14 US disclosed
EP-0021806-A1 2,3-Dihydro-imidazo (2,1-b) benzothiazole derivatives and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-07 EP disclosed