SCHEMBL29777574

SCHEMBL29777574

COCCN1CCn2ncc(N)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SCN9A Q15858 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ AOC3 Q16853 2/20 0.32

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
SCHEMBL13589772 0.81 POLB (0.37) POLBGAANPC1LMNARAB9A
SCHEMBL29777585 0.79 POLB (0.38) POLBGAANPC1LMNARAB9A
SCHEMBL20939715 0.77 PIK3CD (0.36) POLBGAANPC1LMNARAB9A
SCHEMBL20400046 0.76 NLRP3 (0.39) —
Hydrochloric Acid SCHEMBL18209909 0.74 NLRP3 (0.38) —
SCHEMBL20939799 0.72 NPC1 (0.49) POLBGAANPC1LMNARAB9A
SCHEMBL20015197 0.72 — —
SCHEMBL20939543 0.69 MAP3K14 (0.33) —
SCHEMBL29777616 0.69 MAP4K4 (0.36) LMNAALDH1A1KDM4ETDP1
SCHEMBL10446100 0.66 PARP1 (0.36) PARP1

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-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 — — CN disclosed
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