SCHEMBL30402017

SCHEMBL30402017

c1ccc2c(c1)ncc1ncsc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR3 P46089 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ERN1 O75460 1/20 0.37
TOP2A P11388 1/20 0.37
NCF1 P14598 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.33
ADORA2A P29274 1/20 0.33
PDPK1 O15530 1/20 0.33
CA12 O43570 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL2401192 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10GPR3KDM4EERN1
Ammonia Solution, Strong SCHEMBL6783413 0.98 ALDH1A1 (0.45) ALDH1A1HSD17B10GPR3KDM4EERN1
Hydrochloric Acid SCHEMBL10466114 0.98 ALDH1A1 (0.45) ALDH1A1HSD17B10GPR3KDM4EERN1
SCHEMBL7101151 0.78 PI4KA (0.42) ALDH1A1HSD17B10GPR3KDM4ETOP2A
SCHEMBL3943646 0.76 MAPT (0.58) ALDH1A1HSD17B10KDM4EERN1NCF1
SCHEMBL2809627 0.76 LMNA (0.49) ALDH1A1HSD17B10KDM4E
SCHEMBL19118754 0.75 KDM4E (0.46) ALDH1A1HSD17B10GPR3KDM4EERN1
SCHEMBL10465960 0.74 NR4A2 (0.42) ALDH1A1HSD17B10ALOX15
SCHEMBL2809624 0.73 KDM4E (0.45) ALDH1A1HSD17B10KDM4EALOX15SMN1; SMN2
SCHEMBL29871387 0.72 CYP3A4 (0.47) ALDH1A1HSD17B10GPR3KDM4ENCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113679717-B Methods for inhibiting fascin 康奈尔大学 2026-05-22 CN disclosed
CN-119241504-A Spiroindoline inhibitors of KIF18A 沃拉斯查疗法公司 2025-01-03 CN disclosed
CN-117964573-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-05-03 CN disclosed
CN-117924208-A Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-04-26 CN disclosed
CN-117836413-A Connexin-4 antibodies and conjugates 塔拉克治疗公司 2024-04-05 CN disclosed
CN-111757875-B Dihydrobenzofuran and indene analogs as myocardial segment inhibitors 赛特凯恩蒂克公司 2024-01-09 CN disclosed
CN-116635378-A Bicyclic 1, 4-diazacycloheptanones and therapeutic uses thereof 赛特凯恩蒂克公司 2023-08-22 CN disclosed
CN-111349087-B Compounds and methods for inhibiting fascin 康奈尔大学 2023-07-14 CN disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed