SCHEMBL16438151

SCHEMBL16438151

Cc1ccc2c(C)c3ccc(C)c(C)c3nc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
ELANE P08246 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM1A O60341 5/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
DHODH Q02127 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL862521 0.81 KDM1A (0.54) KDM4EMAPTMAPK1KDM1ACYP1A2
SCHEMBL6821557 0.73 KDM4E (0.43) CCR1CCR5CCR8ELANEKDM4E
SCHEMBL12289242 0.73 OPRK1 (0.44) CCR1CCR5CCR8ELANEKDM4E
SCHEMBL6818548 0.73 CYP1A2 (0.39) CCR1CCR5CCR8ELANEKDM4E
SCHEMBL8139070 0.73 DHODH (0.39) CCR1CCR5CCR8ELANEKDM4E
SCHEMBL13539131 0.73 CCR1 (0.78) CCR1CCR5CCR8ELANEKDM4E
SCHEMBL9516679 0.72 OPRK1 (0.43) ELANEKDM4EMAPTMAPK1KDM1A
SCHEMBL438259 0.72 NR4A2 (0.54) ELANEKDM4EMAPTMAPK1TSHR
SCHEMBL11941841 0.72 OPRK1 (0.52) ELANEKDM4EMAPTMAPK1CYP1A2
SCHEMBL29103776 0.71 ELANE (0.64) ELANEKDM4EKMT2APARP14PARP10

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-20150034915-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-02-05 US disclosed