SCHEMBL18821730

SCHEMBL18821730

CCCCOC(=O)c1ccc(N=Nc2ccc(N)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.82
▸ CYP1A2 P05177 4/20 0.82
▸ CYP3A4 P08684 3/20 0.82
▸ TSHR P16473 3/20 0.82
▸ CYP2C19 P33261 2/20 0.82
▸ CYP2C9 P11712 1/20 0.82
▸ PDE4D Q08499 1/20 0.82
▸ MAPT P10636 3/20 0.73
▸ NPC1 O15118 2/20 0.73
▸ RAB9A P51151 2/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ CYP2D6 P10635 3/20 0.70
▸ CHRM2 P08172 1/20 0.70
▸ HTR1A P08908 1/20 0.70
▸ GAA P10253 1/20 0.70
▸ DRD3 P35462 1/20 0.70
▸ SCN1A P35498 1/20 0.70
▸ SLC6A3 Q01959 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ SCN2A Q99250 1/20 0.70

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
SCHEMBL18821724 1.00 LMNA (0.82) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL18821738 1.00 LMNA (0.82) LMNACYP1A2CYP3A4TSHRCYP2C19
Butamben SCHEMBL81735 0.91 LMNA (1.00) LMNACYP1A2CYP3A4TSHRCYP2C19
Butamben SCHEMBL27614630 0.89 LMNA (0.97) LMNACYP1A2CYP3A4TSHRCYP2C19
Butamben SCHEMBL28512544 0.89 LMNA (0.97) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL18874940 0.87 TSHR (0.62) LMNACYP1A2CYP3A4TSHRCYP2C19
Butamben SCHEMBL9561560 0.86 LMNA (0.90) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL769120 0.86 ALDH1A1 (0.97) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL25012972 0.84 ALDH1A1 (1.00) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL11210774 0.84 LMNA (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121605-A1 COMPOSITION AND POLARIZING FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 — — US disclosed
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