SCHEMBL7013979

SCHEMBL7013979

CN1C[N]c2ccccc2CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
GAA P10253 5/20 0.38
TLR9 Q9NR96 2/20 0.38
PKM P14618 1/20 0.38
NOTUM Q6P988 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
RNASEH1 O60930 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL677618 0.71 BRD4 (0.50) HPGDNOTUMRNASEH1BRD4CREBBP
SCHEMBL5540573 0.69 ALDH1A1 (0.34) HPGDGAAALDH1A1MAPTKDM4E
SCHEMBL2061251 0.68 DRD1 (0.61) GAATDP1DRD3SMN1; SMN2CYP2A6
SCHEMBL13239543 0.68 CYP1A2 (0.52) HPGDGAATLR9PKMNOTUM
SCHEMBL10816499 0.67 CYP1A2 (0.52) HPGDGAATLR9PKMCYP1A2
SCHEMBL13507059 0.66 NOTUM (0.55) HPGDGAANOTUMKMT2ATDP1
SCHEMBL21698587 0.66 BRD4 (0.52) GAABRD4TSHRDRD3SMN1; SMN2
SCHEMBL16767079 0.63 NOTUM (0.56) HPGDGAAPKMNOTUMKMT2A
SCHEMBL578262 0.63 NOTUM (0.56) HPGDGAAPKMNOTUMKMT2A
SCHEMBL29385722 0.63 NOTUM (0.56) HPGDGAAPKMNOTUMKMT2A

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-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed