SCHEMBL11052249

SCHEMBL11052249

Cc1cc(C)cc(C(=O)c2c[nH]cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL11049635 0.83 POLB (0.46) KMT2AHPGDPOLBTDP1HDAC6
SCHEMBL11051578 0.82 ALDH1A1 (0.52) KMT2AHPGDGAAMAPTTDP1
SCHEMBL11046353 0.81 IGFBP3 (0.38) KMT2AHPGDGAAPARP1MEN1
SCHEMBL11049942 0.78 SMN1; SMN2 (0.49) KMT2AHPGDPOLBMAPTPRSS1
SCHEMBL5752399 0.78
SCHEMBL1683786 0.76 TUBB1 (0.49)
SCHEMBL10958770 0.74 KMT2A (0.53) KMT2AHPGDHSD17B10POLBMAPT
SCHEMBL11052433 0.73 F2 (0.44) KMT2APOLBMAPTNPC1RAB9A
SCHEMBL11048385 0.73 SRD5A2 (0.47) KMT2AHPGDMAPTTSHRNPC1
SCHEMBL724222 0.71 LTA4H (0.47) KMT2AHPGDMAPTTSHRNPC1

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