SCHEMBL21893772

SCHEMBL21893772

Cc1cnc(-c2ccccn2)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 4/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 1/20 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
RAB9A P51151 7/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 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
Hydrochloric Acid SCHEMBL7183205 0.81 KDM4E (0.38) NPC1SMN1; SMN2TP53KDM4ELMNA
Hydrochloric Acid SCHEMBL7171654 0.81 KDM4E (0.38) NPC1SMN1; SMN2TP53KDM4ELMNA
Hydrochloric Acid SCHEMBL7171297 0.81 KDM4E (0.38) NPC1SMN1; SMN2TP53KDM4ELMNA
Hydrochloric Acid SCHEMBL7181352 0.81 TP53 (0.38) NPC1SMN1; SMN2TP53KDM4ELMNA
Hydrochloric Acid SCHEMBL7175992 0.81 KDM4E (0.38) NPC1SMN1; SMN2TP53KDM4ELMNA
Hydrochloric Acid SCHEMBL7177150 0.81 KDM4E (0.38) NPC1SMN1; SMN2TP53KDM4ELMNA
Hydrochloric Acid SCHEMBL7179144 0.81 KDM4E (0.38) NPC1SMN1; SMN2TP53KDM4ELMNA
SCHEMBL21893886 0.79 NPC1 (0.43) NPC1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL19244945 0.79 NPC1 (0.43) NPC1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL21818931 0.76 NPC1 (0.47) NPC1SMN1; SMN2TP53TSHRKDM4E

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
CN-113200962-B Phenylimidazole compounds 株式会社大塚制药工场 2024-10-18 CN disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed