SCHEMBL29244459

SCHEMBL29244459

Nc1ccc2[nH]c3c(c2c1)NCCC3

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.41
KDR P35968 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
F2 P00734 1/20 0.36
AR P10275 1/20 0.36
NGFR P08138 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
SCHEMBL27352303 0.81 KDM4E (0.46) PARP1KDRBAZ2BMAPT
SCHEMBL30667668 0.81 LMNA (0.43) PARP1KDRBAZ2BMAPT
SCHEMBL27352062 0.81 LMNA (0.43) PARP1KDRBAZ2BMAPT
SCHEMBL27351210 0.77 PARP1 (0.67) PARP1KDRMAPT
SCHEMBL30667613 0.77 PARP1 (0.67) PARP1KDRMAPT
SCHEMBL537823 0.76 KDM4E (0.49) KDR
SCHEMBL1465735 0.75 F2 (0.60) BAZ2BMAPTF2
SCHEMBL12647099 0.75 MAPT (0.65) BAZ2BMAPTF2
SCHEMBL30667692 0.74 PARP1 (0.47) PARP1KDR
SCHEMBL30667611 0.74 PARP1 (0.70) PARP1KDRMAPT

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
CN-118076613-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2024-05-24 CN disclosed