SCHEMBL19016813

SCHEMBL19016813

Cc1ccc(C)c(Nc2nc(C)nc(N3CCOCC3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.61
▸ LMNA P02545 4/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ POLB P06746 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.48
▸ GBA1 P04062 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ GALR2 O43603 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46

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
SCHEMBL22737771 0.79 KMT2A (0.57) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL22737355 0.75 MAPT (0.57) MAPTLMNASMN1; SMN2POLBALDH1A1
SCHEMBL8239323 0.75 MAPT (0.51) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL11812589 0.74 LMNA (0.94) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL14146747 0.74 BRAF (0.62) MAPTSMN1; SMN2TDP1CA12CA1
SCHEMBL29345084 0.74 MAPT (0.95) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL22737561 0.74 GBA1 (0.49) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL25722605 0.73 SMN1; SMN2 (0.65) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL1443608 0.72 ALDH1A1 (0.55) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL29345120 0.72 POLB (0.58) MAPTLMNACYP1A2CYP2C9CYP2C19

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
WO-2017106367-A1 METHOD OF TREATING NEURODEGENERATIVE DISORDERS BY RESCUING ALPHA-SYNUCLEIN TOXICITY D.E. SHAW RESEARCH, LLC (US) 2017-06-22 — — WO disclosed
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