SCHEMBL8995527

SCHEMBL8995527

CCCCc1ccc(C(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
F10 P00742 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
RARB P10826 2/20 0.53
PLK1 P53350 1/20 0.53
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
SPHK2 Q9NRA0 2/20 0.49
SPHK1 Q9NYA1 2/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
Hydrochloric Acid SCHEMBL5884387 0.98 PRSS1 (0.53) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL9649899 0.94 ESR1 (0.55) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL9650690 0.92 ESR1 (0.58) RARBTHRATHRBSPHK2SPHK1
SCHEMBL9650482 0.92 ESR1 (0.58) RARBTHRATHRBSPHK2SPHK1
SCHEMBL9650583 0.92 ESR1 (0.58) RARBTHRATHRBSPHK2SPHK1
SCHEMBL9647294 0.92 ESR1 (0.58) RARBTHRATHRBSPHK2SPHK1
SCHEMBL9650566 0.92 ESR1 (0.58) RARBTHRATHRBSPHK2SPHK1
Hydrochloric Acid SCHEMBL7798271 0.92 SPHK1 (0.56) PRSS1PRSS2PRSS3F10LOXL2
Hydrochloric Acid SCHEMBL11616157 0.91 SPHK1 (0.58) RARBTHRATHRBSPHK2SPHK1
Hydrochloric Acid SCHEMBL8402285 0.91 SPHK1 (0.58) RARBTHRATHRBSPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109468659-A The method of room temperature synthesizing benzimidazole under the conditions of electrocatalytic method water phase 云南师范大学 2019-03-15 CN disclosed
CN-109456273-A The method of benzenecarboximidamide class compound synthesis benzimidazole compound is used in microwave method water phase 云南师范大学 2019-03-12 CN disclosed
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5112523-A High clearing point for liquid crystal displays CHISSO CORPORATION (JP) 1992-05-12 US disclosed
US-4874546-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-10-17 US disclosed