SCHEMBL24115287

SCHEMBL24115287

O=C[C@@H]1Cc2ccccc2CN1I

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL13681899 0.78 OPRM1 (0.39) NOTUMNPC1RAB9APKMSIGMAR1
SCHEMBL2089551 0.78 OPRM1 (0.39) NOTUMNPC1RAB9APKMSIGMAR1
SCHEMBL12387928 0.78 SIGMAR1 (0.36) NOTUMADORA2ASIGMAR1RXFP1PARP1
SCHEMBL3898933 0.75 ACE (0.46) MEN1MAPTKMT2ATAAR1PREP
SCHEMBL17559354 0.75 ACE (0.46) MEN1MAPTKMT2ATAAR1PREP
SCHEMBL5243620 0.75 ACE (0.46) MEN1MAPTKMT2ATAAR1PREP
SCHEMBL19473382 0.74 ADORA2A (0.33) NOTUMADORA2ASIGMAR1RXFP1PARP1
SCHEMBL19473353 0.74 ADORA2A (0.33) NOTUMADORA2ASIGMAR1RXFP1PARP1
SCHEMBL20342104 0.71 NOTUM (0.47) NOTUMNPC1RAB9ANAMPTPREP
SCHEMBL26638792 0.71 NOTUM (0.41) NOTUM

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-3925667-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-22 — — EP disclosed
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