SCHEMBL3203488

SCHEMBL3203488

CCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ MAPK1 P28482 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ HTT P42858 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ LMNA P02545 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ RAB9A P51151 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ TP53 P04637 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL3222848 0.88 SCD (0.61) MAPTALDH1A1KDM4E
SCHEMBL20241864 0.81 SHMT1 (0.64) MAPTCYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL3547359 0.80 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4636133 0.80 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3208628 0.79 SMN1; SMN2 (0.55) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL12310175 0.75 TP53 (0.79) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL16607167 0.74 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3209227 0.74 RAB9A (0.65) MAPTCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL2656561 0.73 MAPK1 (0.77) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3611202 0.73 ALDH1A1 (0.88) MAPTCYP2C9CYP2C19ALDH1A1MEN1

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 — — US claimed
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