SCHEMBL29195098

SCHEMBL29195098

C=Cc1cccc2nc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PRKCI P41743 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ ACVR1 Q04771 1/20 0.31
▸ IP6K1 Q92551 1/20 0.31
▸ IP6K3 Q96PC2 1/20 0.31
▸ IP6K2 Q9UHH9 1/20 0.31

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
SCHEMBL3673663 0.81 PARP1 (0.40) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL4537907 0.77 HPGD (0.38) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL3084662 0.74 PARP1 (0.39) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL1374558 0.73 PRKCI (0.44) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL196912 0.73 PARP1 (0.42) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL1656177 0.72 RAB9A (0.36) SMN1; SMN2ALDH1A1KDM4EGAAHPGD
SCHEMBL3232202 0.71 PARP1 (0.41) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL10897961 0.70 PARP1 (0.41) PARP1SMN1; SMN2TNKS2ALDH1A1KDM4E
SCHEMBL1445123 0.69 PDPK1 (0.41) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL312428 0.69 PARP1 (0.43) PARP1PDPK1CA12ALOX15SMN1; SMN2

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-117862744-A Leadless no-clean tin paste for electronic welding and preparation method thereof 深圳市荣昌科技有限公司 2024-04-12 — — CN disclosed
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