SCHEMBL23914094

SCHEMBL23914094

CCC(CC)c1ccnc(-c2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 2/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
KDM4C Q9H3R0 2/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM5C P41229 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
NPC1 O15118 4/20 0.42
TP53 P04637 3/20 0.42

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
SCHEMBL11396126 0.89 CCR1 (0.43) KDM4ECCR1CCR5CCR8KDM4C
SCHEMBL12386860 0.85 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19039501 0.85 KDM4E (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18729474 0.83 ASIC3 (0.49) KDM4ELMNACYP1A2NPC1TP53
SCHEMBL17243765 0.80 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3040111 0.76 NR1I2 (0.39) CCR1CCR5CCR8CYP1A2POLB
Dipyridyl SCHEMBL27763611 0.74 KDM4E (0.78) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5974098 0.73 NR1I2 (0.47) KDM4ECCR1CCR5CCR8HPGD
SCHEMBL28416719 0.73 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14302229 0.72 TSHR (0.32) CYP1A2ALDH1A1TSHRCYP2C19

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-20210317260-A1 POLYMER, COMPOSITION, ELECTROCHROMIC ELEMENT, DIMMING DEVICE, AND DISPLAY DEVICE NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2021-10-14 US disclosed