SCHEMBL12132295

SCHEMBL12132295

Cc1ccc(-c2nc(-c3ccc(C)cn3)nc(-n3c4ccccc4c4ccccc43)n2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.44
▸ CCR5 P51681 1/20 0.44
▸ CCR8 P51685 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MAPT P10636 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ PDE10A Q9Y233 3/20 0.37
▸ KDM4E B2RXH2 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ RECQL P46063 2/20 0.34
▸ AGER Q15109 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ P2RX3 P56373 2/20 0.33

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
SCHEMBL12132293 0.82 CCR1 (0.39) CCR1CCR5CCR8HDAC6TGFBR1
SCHEMBL12622282 0.78 CCR1 (0.71) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL12132272 0.78 CYP1A2 (0.47) MAPTLMNAHTTCYP3A4KDM4E
SCHEMBL22926721 0.77 KDM4E (0.43) MAPTLMNAHTTCYP3A4KDM4E
SCHEMBL12132298 0.76 NPC1 (0.46) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL14780608 0.76 KDM4E (0.46) CCR1CCR5CCR8HDAC6MAPT
SCHEMBL24657742 0.75 CYP1A1 (0.49) MAPTLMNAHTTL3MBTL1TDP1
SCHEMBL22373647 0.74 CYP1A2 (0.47) MAPTLMNAHTTCYP3A4KDM4E
SCHEMBL25777662 0.74 KDM4E (0.57) CCR1CCR5CCR8MAPTLMNA
SCHEMBL16547031 0.74 GRIN2D (0.44) CCR1CCR5CCR8HDAC6MAPT

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-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 — — US disclosed
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