SCHEMBL10692686

SCHEMBL10692686

Cc1cc(C#N)nc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KDM4E B2RXH2 4/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GRM4 Q14833 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NUDT1 P36639 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL10671813 0.78 HSP90AA1 (0.44) POLBHSP90AA1HSP90AB1GRM4SMN1; SMN2
SCHEMBL5775562 0.78 KDM4E (0.47) POLBKDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL28795462 0.77 DYRK1A (0.36) POLBKDM4EGAAHRH3RAB9A
SCHEMBL4917689 0.77 GPR119 (0.42) POLBKDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL21614634 0.76 KDM4E (0.39) POLBKDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL151114 0.75
SCHEMBL1179519 0.74 KDM4E (0.49) POLBKDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL3508940 0.74 ADORA1 (0.47) POLBKDM4EGRM4ALDH1A1GAA
SCHEMBL30863954 0.73 HSP90AA1 (0.56) POLBHSP90AA1HSP90AB1GRM4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL20919221 0.73 HSP90AA1 (0.56) POLBHSP90AA1HSP90AB1GRM4SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111040095-B Preparation method and application of hydrogel fiber 中国科学院宁波材料技术与工程研究所 2022-04-19 CN disclosed
CN-111040095-A Preparation method and application of hydrogel fiber 中国科学院宁波材料技术与工程研究所 2020-04-21 CN disclosed
US-4740229-A PRE- AND POST EMERGENCE HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-04-26 US disclosed
EP-0205323-A2 Cyanoheterocyclic sulfonylureas E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-17 EP disclosed