SCHEMBL17425822

SCHEMBL17425822

Cc1ccc(Br)c(N(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CCR8 P51685 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ S1PR4 O95977 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL30338298 0.77 TUBB4A (0.33) MAPTCYP1A2HTTSMN1; SMN2KDM4E
SCHEMBL25230233 0.77 TUBB4A (0.33) MAPTCYP1A2HTTSMN1; SMN2KDM4E
SCHEMBL12093315 0.76 CCR1 (0.40) CCR1RAB9ACCR5CCR8MAPT
SCHEMBL31710095 0.76 BACE1 (0.39) RAB9AHTTKDM4ELMNAADORA2A
SCHEMBL13209499 0.73 NOS3 (0.38) CCR1RAB9ACCR5MAPTCYP1A2
SCHEMBL12093322 0.73 CCR1 (0.37) CCR1RAB9ACCR5CCR8MAPT
SCHEMBL3216556 0.73 KDM4E (0.47) CCR1RAB9ACCR5MAPTCYP1A2
SCHEMBL26281357 0.73 MEN1 (0.38) CCR1RAB9ACCR5CCR8MAPT
SCHEMBL30474652 0.72 PIM1 (0.33) MAPTCYP1A2S1PR4
SCHEMBL28497045 0.72 PIM1 (0.33) MAPTCYP1A2S1PR4

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
EP-2730583-B1 Iridium complexes with aza-benzo fused ligands UNIVERSAL DISPLAY CORP (US) 2016-01-13 — — EP disclosed
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