SCHEMBL10652248

SCHEMBL10652248

CCCCC(=O)OC(=O)c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
CYP1A2 P05177 4/20 0.61
CYP3A4 P08684 3/20 0.61
TSHR P16473 3/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
PDE4D Q08499 1/20 0.61
MAPT P10636 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MAOA P21397 2/20 0.54
CYP2D6 P10635 3/20 0.52
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
GAA P10253 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL22655275 0.84 HSD17B3 (0.51) LMNACYP1A2TSHRCYP2C19MAPT
SCHEMBL9016067 0.84 HSD17B3 (0.51) LMNACYP1A2TSHRCYP2C19MAPT
SCHEMBL6511114 0.83 ALDH1A1 (0.46) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL27200589 0.83 HTR7 (0.62) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL1535709 0.83 CES2 (0.56) LMNATSHRMAPTALDH1A1ESR1
SCHEMBL28852607 0.81 ALDH1A1 (0.53) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL18587941 0.80 L3MBTL1 (0.39) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL28102302 0.80 TP53 (0.53) TSHRMAPTALDH1A1
SCHEMBL27818527 0.80 ALDH1A1 (0.47) LMNACYP1A2TSHRCYP2C19MAPT
SCHEMBL27818338 0.80 L3MBTL1 (0.47) LMNACYP1A2CYP3A4TSHRCYP2C19

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
EP-0150937-B1 DIHYDROPYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-09-14 EP disclosed
US-4654342-A TREATMENT OF CONGESTIVE HEART FAILURE BRONCHODILATION SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-03-31 US disclosed
EP-0150937-A2 Dihydropyridazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-07 EP disclosed
WO-1985003076-A1 DIHYDROPYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-18 WO disclosed