SCHEMBL13867585

SCHEMBL13867585

CCC(C)(C)c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3C)c2cc(-c3ccc(C(C)(C)CC)s3)ccc2n4C)s1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 1/20 0.32
▸ GRIN1 Q05586 12/20 0.32
▸ GRIN2B Q13224 12/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ RORA P35398 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ RORB Q92753 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
SCHEMBL12943206 0.78 — —
SCHEMBL12418487 0.77 GPR3 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL14112667 0.77 KIF11 (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL24715160 0.74 CYP3A4 (0.35) ALDH1A1KMT2ACYP2D6
SCHEMBL9979918 0.73 NR4A2 (0.43) CD38KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL20022303 0.73 GPR3 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20022386 0.73 GPR3 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20022351 0.73 GPR3 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL20022381 0.73 GPR3 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL18895872 0.73 ALDH1A1 (0.38) ALDH1A1MAPTHPGDL3MBTL1

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-7528261-B2 Small molecule compound having indolocarbazole moiety and divalent linkage XEROX CORPORATION (US) 2009-05-05 — — US disclosed
Send feedback