SCHEMBL8158596

SCHEMBL8158596

Nc1nnc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
CYP1A2 P05177 3/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
TSHR P16473 1/20 0.63
NOTUM Q6P988 3/20 0.61
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
KDM4E B2RXH2 6/20 0.55
KMT2A Q03164 3/20 0.55
DGAT1 O75907 1/20 0.53
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PIM1 P11309 3/20 0.48
PIM3 Q86V86 3/20 0.48
PIM2 Q9P1W9 3/20 0.48
MEN1 O00255 2/20 0.47

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
SCHEMBL9195816 0.87 SMN1; SMN2 (0.79) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11485160 0.83 ALDH1A1 (0.64) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL27477472 0.81 SMN1; SMN2 (0.77) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1519932 0.80 CDK2 (0.54) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL23451476 0.79 SMN1; SMN2 (0.63) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL6984735 0.79 SMN1; SMN2 (0.73) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5637979 0.77 CYP1A2 (0.71) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9342311 0.77 SMN1; SMN2 (0.71) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3979 0.77 NOTUM (1.00) HSD17B10ALDH1A1SMN1; SMN2HPGDNOTUM
SCHEMBL6978766 0.76 ALDH1A1 (0.64) HSD17B10CYP1A2ALDH1A1SMN1; SMN2CYP3A4

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
JP-2000511883-A 2000-09-12 JP claimed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US claimed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO claimed
WO-2020196327-A1 PRODUCTION METHOD OF QUINOLINECARBOXAMIDE DERIVATIVE OR PRODUCTION INTERMEDIATE THEREOF 株式会社ヤクルト本社 2020-10-01 WO disclosed
US-6080770-A SUBSTITUTED 1,2,3-TRIAZOLE OR 1,2,4-TRIAZOLE COMPOUND NOVO NORDISK A/S (DK) 2000-06-27 US disclosed
US-6063800-A Modulators of molecules with phosphotyrosine recognition units NOVO NORDISK A/S (DK) 2000-05-16 US disclosed
US-5972978-A FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, USE FOR PURIFICATION OF PROTEINS OR GLYCOPROTEINS, USE IN DIAGNOSIS NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US disclosed
WO-1997040017-A2 MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS NOVO NORDISK A/S (DK) 1997-10-30 WO disclosed