SCHEMBL30198124

SCHEMBL30198124

SCc1cccc2nc[nH]c12.[Zn]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALOX15 P16050 2/20 0.35
PDPK1 O15530 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
MEN1 O00255 1/20 0.35
HTR3B O95264 1/20 0.35
MAPT P10636 1/20 0.35
HTR3A P46098 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CDC7 O00311 5/20 0.34
DBF4 Q9UBU7 5/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
IDO1 P14902 1/20 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
SCHEMBL1647059 0.98 PARP1 (0.36) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL7346990 0.79 PARP1 (0.43) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL27321414 0.79 PARP1 (0.40) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL2501354 0.79 PARP1 (0.40) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL7576846 0.79 LOXL2 (0.44) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL27457721 0.79 PARP1 (0.40) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL7856465 0.76 JAK2 (0.36) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL2498957 0.76 MEN1 (0.39) PARP1SMN1; SMN2ALOX15PDPK1CA12
SCHEMBL3068246 0.76 TAAR1 (0.41) PARP1SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL28278903 0.76 DAO (0.40) PARP1SMN1; SMN2ALOX15PDPK1CA12

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-110382652-B Resistance regulator 株式会社大阪曹达 2023-02-28 CN disclosed