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SCHEMBL11622693

SCHEMBL11622693

Cc1cn(C(C)(C)C(=O)N(C)C)nc1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 14/20 0.40
▸ DGAT2 Q96PD7 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSPO P30536 1/20 0.36

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
SCHEMBL11624495 0.90 KMT2A (0.39) GPBAR1DGAT2KMT2ACYP3A4CYP2C19
SCHEMBL11622443 0.89 GPBAR1 (0.39) GPBAR1DGAT2KMT2ACYP3A4CYP2C19
SCHEMBL11620436 0.88 MGLL (0.36) GPBAR1
SCHEMBL11620118 0.86 TSPO (0.39) GPBAR1KMT2AHSD17B10TSPO
SCHEMBL11617425 0.86 GPBAR1 (0.37) GPBAR1DGAT2KMT2ACYP3A4CYP2C19
SCHEMBL11624694 0.86 TSHR (0.37) GPBAR1KMT2AMEN1
SCHEMBL11624559 0.85 CNR1 (0.42) KMT2A
SCHEMBL11623151 0.85 KDM4E (0.39) GPBAR1CYP3A4
SCHEMBL11621036 0.85 CDC7 (0.34) KMT2AMEN1
SCHEMBL11622099 0.85 GPBAR1 (0.39) GPBAR1DGAT2KMT2ACYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US claimed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 — — US disclosed