SCHEMBL19974772

SCHEMBL19974772

O=C(Oc1cnc[nH]1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.41
ELANE P08246 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 2/20 0.38
EPHX1 P07099 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 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
SCHEMBL19975114 0.92 HRH3 (0.42) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL19974659 0.79 MIF (0.41) KMT2AHTTSMN1; SMN2TDP1HRH3
SCHEMBL15059972 0.77 EPHX1 (0.50) SMN1; SMN2HRH3HRH4TSHREPHX1
SCHEMBL19974692 0.73 HRH4 (0.45) HRH3HTR3AHRH4MAPTHPGD
SCHEMBL29020255 0.72 POLB (0.49) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL6662519 0.69 HRH3 (0.75) KMT2ASMN1; SMN2HRH3HTR3AHRH4
SCHEMBL30186773 0.69 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL11167639 0.68 PAX8 (0.45) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL11169197 0.68 PAX8 (0.45) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL11162586 0.68 PAX8 (0.45) KMT2AHTTSMN1; SMN2TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512840-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS Tseng, Yufeng, Jane (US) 2019-07-24 EP disclosed
WO-2018053161-A1 NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS NATIONAL TAIWAN UNIVERSITY (TW) 2018-03-22 WO disclosed