SCHEMBL8746707

SCHEMBL8746707

CCCCCCCSc1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GPR84 Q9NQS5 8/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL2705800 1.00 CYP2C9 (0.41) CYP2C9CYP2C19ALDH1A1GPR84USP2
SCHEMBL7079559 0.98 CYP2C9 (0.42) CYP2C9CYP2C19ALDH1A1GPR84USP2
SCHEMBL9588445 0.93 USP2 (0.46) CYP2C9CYP2C19ALDH1A1USP2MAPT
SCHEMBL11486895 0.85 — —
SCHEMBL28211909 0.70 GPR84 (0.44) ALDH1A1GPR84LMNAMAPTSMN1; SMN2
SCHEMBL8442599 0.69 — —
SCHEMBL5603669 0.68 KCNH2 (0.47) ALDH1A1LMNAHPGD
SCHEMBL8665836 0.68 CYP2C9 (0.45) CYP2C9CYP2C19ALDH1A1GPR84LMNA
SCHEMBL22481049 0.68 NR1I2 (0.33) GPR84LMNA
SCHEMBL9450648 0.68 CYP2C9 (0.45) CYP2C9CYP2C19ALDH1A1GPR84LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378373-B1 Photohardenable compositions and their use in producing images MEAD CORP (US) 1997-03-05 — — EP disclosed
US-5283015-A Crosslinking using isocyanato-(or cyano-)acrylate THE MEAD CORPORATION (US) 1994-02-01 — — US disclosed
US-5079126-A Pyrazoline-5-one compound, reduction of reciprocity failure, imaging method, microcapsules coated on support THE MEAD CORPORATION (US) 1992-01-07 — — US disclosed
EP-0391556-A1 Method for producing microcapsules THE MEAD CORPORATION (US) 1990-10-10 — — EP disclosed
EP-0378373-A2 Photohardenable compositions and their use in producing images THE MEAD CORPORATION (US) 1990-07-18 — — EP disclosed
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