SCHEMBL23913956

SCHEMBL23913956

CCOP(=O)(Cc1ccnc(-c2cc(C)ccn2)c1)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
CCR5 P51681 1/20 0.49
CCR8 P51685 1/20 0.49
CCNT1 O60563 5/20 0.39
CDK9 P50750 5/20 0.39
CYP2A6 P11509 1/20 0.38
METAP2 P50579 1/20 0.38
JMJD6 Q6NYC1 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
UHRF1 Q96T88 1/20 0.33

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
SCHEMBL4320036 0.93 CCNT1 (0.42) CCR1CCR5CCR8CCNT1CDK9
SCHEMBL18121147 0.87 CCNT1 (0.39) CCR1CCR5CCR8CCNT1CDK9
SCHEMBL11197773 0.86 CCNT1 (0.45) CCR1CCR5CCR8CCNT1CDK9
SCHEMBL15265897 0.78 CCNT1 (0.38) CCNT1CDK9MAPTHTT
SCHEMBL9602080 0.76 CYP4F2 (0.42) CCNT1CDK9MAPTHTT
SCHEMBL1013879 0.76 CCNT1 (0.39) CCNT1CDK9MAPTHTTLMNA
SCHEMBL1831290 0.75 IDO1 (0.44) CCNT1CDK9MAPTHTTLMNA
SCHEMBL29427115 0.75 IDO1 (0.44) CCNT1CDK9MAPTHTTLMNA
SCHEMBL8425645 0.74 CCR1 (0.68) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL12992874 0.74 CCR1 (0.49) CCR1CCR5CCR8CYP2A6METAP2

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