SCHEMBL13871896

SCHEMBL13871896

C=C1c2cc(CC)ccc2CN1c1ccc2ccn(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ FAAH O00519 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ SSTR5 P35346 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30

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
SCHEMBL14818581 0.91 PTK2 (0.33) HTR7L3MBTL1CYP2A6KDM4ENPC1
SCHEMBL13872134 0.91 PRKCI (0.38) HTR7HSD17B10CYP2A6FAAHKDM4E
SCHEMBL13871897 0.89 OXER1 (0.33) L3MBTL1CYP2A6
SCHEMBL13113714 0.86 HTR7 (0.37) HTR7L3MBTL1CYP2A6FAAHKDM4E
SCHEMBL13872127 0.86 HTR7 (0.43) HTR7HSD17B10
SCHEMBL13872204 0.85 HTR7 (0.33) HTR7HSD17B10
SCHEMBL13872167 0.85 KDM2B (0.32) IDO1TDO2
SCHEMBL13872271 0.84 PRKCI (0.43) L3MBTL1CYP2A6EGFRIDO1TDO2
SCHEMBL13872211 0.84 CYP2A6 (0.35) HTR7CYP2A6KDM4ENPC1RAB9A
SCHEMBL13871874 0.83 CYP2A6 (0.34) CYP2A6EGFRIDO1TDO2

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-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 — — WO disclosed
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