SCHEMBL20929593

SCHEMBL20929593

Cc1ccc(-c2ccc3cc(C)ccc3c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.56
CCR5 P51681 2/20 0.56
CCR8 P51685 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP2A6 P11509 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
GRIA2 P42262 1/20 0.42
METAP2 P50579 1/20 0.42
PTGS2 P35354 2/20 0.40
CTRC Q99895 1/20 0.40
KDM1A O60341 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
GRM5 P41594 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL13134511 0.89 CCR1 (0.52) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL31145084 0.89 CCR1 (0.52) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL12386961 0.84 CYP3A4 (0.54) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL21297650 0.81 ABL1 (0.53) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL12386963 0.81 CYP3A4 (0.54) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL17051514 0.81 CCR1 (0.75) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL14505861 0.80 NPC1 (0.58) CYP2A6CYP1A2CYP3A4TDP1CTRC
SCHEMBL10032730 0.80 CYP3A4 (0.45) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL13483666 0.79 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP2A6
SCHEMBL2477927 0.79 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP2A6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200264461-A1 LIGHT CONVERSION FILM AND IMAGE DISPLAY DEVICE DIC CORPORATION (JP) 2020-08-20 US disclosed
US-20190119573-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2019-04-25 US disclosed