SCHEMBL11048385

SCHEMBL11048385

O=C(c1ccc(Cl)cc1)c1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
MAPK1 P28482 1/20 0.47
CNR2 P34972 1/20 0.46
HTT P42858 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NR4A1 P22736 1/20 0.41
VNN1 O95497 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
PRNP P04156 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL11051578 0.84 ALDH1A1 (0.52) SRD5A2MAPK1HTTCES2CES1
SCHEMBL724222 0.84 LTA4H (0.47) MAPK1CES2CES1SMN1; SMN2KMT2A
SCHEMBL10958770 0.83 KMT2A (0.53) SRD5A2CNR2HTTCES2CES1
SCHEMBL7509763 0.80 CA1 (0.44) MAPTCA1CA2VNN1ALDH1A1
SCHEMBL11053630 0.80 HPGD (0.53) MAPK1HTTCES2CES1SMN1; SMN2
SCHEMBL5752399 0.80
SCHEMBL11049942 0.76 SMN1; SMN2 (0.49) MAPK1HTTCES2CES1SMN1; SMN2
SCHEMBL9876383 0.75 KMT2A (0.34) HTTSMN1; SMN2KMT2AALOX15TSHR
SCHEMBL51827 0.72 SRD5A2 (0.80) SRD5A2MAPK1CNR2HTTCES2
SCHEMBL9065412 0.72 SRD5A2 (0.80) SRD5A2MAPK1CNR2HTTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed