SCHEMBL18174558

SCHEMBL18174558

Cc1cc(-c2ccccn2)ccc1-c1c2ccccc2c(-c2ccc(-c3ccccn3)cc2C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
DHODH Q02127 1/20 0.43
PDK2 Q15119 1/20 0.43
RET P07949 1/20 0.41
RIPK1 Q13546 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
CYP1A2 P05177 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL18174575 0.90 DHODH (0.40) KDM4ENPC1DHODHPDK2RET
SCHEMBL18174612 0.88 DHODH (0.39) KDM4ENPC1DHODHPDK2RET
SCHEMBL18174696 0.88 DHODH (0.47) KDM4ENPC1DHODHPDK2RET
SCHEMBL18174568 0.87 RET (0.44) KDM4ENPC1DHODHPDK2RET
SCHEMBL15160964 0.87 NPC1 (0.44) KDM4ENPC1DHODHPDK2CYP1A2
SCHEMBL18174602 0.87 SMN1; SMN2 (0.42) KDM4ENPC1DHODHPDK2RET
SCHEMBL18174650 0.87 WNT3A (0.45) DHODHPDK2RETRIPK1RIPK3
SCHEMBL18174708 0.87 WNT3A (0.39) KDM4ENPC1DHODHPDK2RET
SCHEMBL15835161 0.86 DHFR (0.37) KDM4ENPC1DHODHPDK2RET
SCHEMBL18174676 0.86 HTR2C (0.42) KDM4ENPC1DHODHPDK2RET

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-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed