SCHEMBL28840341

SCHEMBL28840341

C=C(C)n1nc(I)cc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.41
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL20177039 0.78 LMNA (0.53) LMNASMN1; SMN2POLBNPC1RAB9A
SCHEMBL23769697 0.77 SMN1; SMN2 (0.46) LMNASMN1; SMN2POLBNPC1RAB9A
SCHEMBL23754103 0.75 TSHR (0.40) LMNASMN1; SMN2POLBNPC1RAB9A
SCHEMBL15273732 0.72 SMN1; SMN2 (0.48) ELANELMNASMN1; SMN2POLBNPC1
SCHEMBL25632856 0.72 SMN1; SMN2 (0.45) ELANELMNASMN1; SMN2POLBALDH1A1
SCHEMBL4682118 0.72 MAPT (0.47) ELANELMNASMN1; SMN2POLBALDH1A1
SCHEMBL29047841 0.70 ELANE (0.46) ELANELMNASMN1; SMN2POLBNPC1
SCHEMBL25390753 0.68 TSHR (0.35) ELANELMNASMN1; SMN2POLBNPC1
SCHEMBL20140164 0.68 TDP1 (0.39) LMNASMN1; SMN2POLBNPC1RAB9A
SCHEMBL23041539 0.67 POLB (0.46) LMNAPOLBALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
CN-116120287-A Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2023-05-16 CN disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN disclosed