SCHEMBL25718436

SCHEMBL25718436

C=C(N)Cc1cc(C)c(Cc2cc(C)cc(C)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.33
MAPK8 P45983 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
PARP10 Q53GL7 1/20 0.30
SHBG P04278 1/20 0.30

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
SCHEMBL4864496 0.77 HTR1D (0.42) IDH1HTR1DHTR1BTHRATHRB
SCHEMBL28637900 0.70 SHBG (0.48) HTR1DHTR1BTHRATHRBSHBG
SCHEMBL24095004 0.68 CYP1A2 (0.41) PRSS1PRSS2PRSS3
SCHEMBL19266040 0.67 TAAR1 (0.52) MAPK8
SCHEMBL24899309 0.66 ALDH1A1 (0.38) IDH1MAPK8PRSS1PRSS2C1S
SCHEMBL8964742 0.66 ALDH1A1 (0.38) IDH1MAPK8PRSS1PRSS2C1S
SCHEMBL24386036 0.65 IDO1 (0.47) MAPK8
SCHEMBL5215140 0.65 HTT (0.47) MAPK8PRSS1PRSS2C1SPRSS3
SCHEMBL3588189 0.65 IDH1 (0.46) IDH1SHBG
SCHEMBL19594797 0.64 HRH3 (0.40) HTR1DHTR1BPRSS1PRSS2C1S

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-2023107412-A1 POLYMER CONJUGATED THYROINTEGRIN ANTAGONISTS NANOPHARMACEUTICALS LLC (US) 2023-06-15 WO disclosed