SCHEMBL31190010

SCHEMBL31190010

CC(C)(C)Sc1ccc2nc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.49
PRKCI P41743 1/20 0.49
CYP3A4 P08684 1/20 0.47
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
RAD52 P43351 1/20 0.47
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
QPCT Q16769 7/20 0.42
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
QPCTL Q9NXS2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1976001 0.80 QPCT (0.55) MMP12PRKCICYP3A4NAMPTXDH
SCHEMBL8733539 0.79 QPCT (0.53) MMP12PRKCICYP3A4NAMPTXDH
SCHEMBL14820069 0.78 PARP1 (0.58) SMN1; SMN2
SCHEMBL761114 0.73 PRKCI (0.53) MMP12PRKCICYP3A4NAMPTXDH
SCHEMBL11855328 0.72 KDM4E (0.50) MMP12PRKCICYP3A4NAMPTXDH
SCHEMBL14805747 0.71 SMN1; SMN2 (0.44) CYP3A4KDM4EMAPTALDH1A1HPGD
SCHEMBL6750192 0.70 MMP12 (0.50) MMP12PRKCICYP3A4NAMPTXDH
SCHEMBL21718811 0.70 MMP12 (0.50) MMP12PRKCICYP3A4NAMPTXDH
SCHEMBL7291365 0.70 MMP12 (0.43) MMP12PRKCICYP3A4NAMPTXDH
SCHEMBL8425541 0.70 POLB (0.46) MMP12PRKCICYP3A4NAMPTXDH

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
WO-2024254534-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed