SCHEMBL7544045

SCHEMBL7544045

C=[C]c1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
CYP2A6 P11509 2/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
PLG P00747 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
CYP3A4 P08684 3/20 0.40
APEX1 P27695 1/20 0.40
MAPK1 P28482 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
SCHEMBL15947640 0.83 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL194554 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL29358794 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2852412 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2418686 0.79 CYP2A6 (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL251028 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL15940603 0.75 ADORA2A (0.54) PLAUCYP2A6F12NCF1NOS3
Hydrochloric Acid SCHEMBL8116929 0.73 ADORA2A (0.53) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2431412 0.73 CYP2A6 (0.48) PLAUCYP2A6F12NCF1NOS3
SCHEMBL17370957 0.73 CHAT (0.49) PLAUCYP2A6F12NCF1NOS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023155454-A1 CARBONIC ANHYDRASE IX-TARGETING RADIOACTIVE DIAGNOSTIC AND THERAPEUTIC MEDICAMENT AND METHOD FOR PREPARING SAME 无锡诺宇医药科技有限公司 2023-08-24 WO disclosed
WO-2002043680-A1 FIXATION OF CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed
WO-2002043678-A2 ENZYMATIC FIXATION OF DERIVATISED CARBOHYDRATES TO FIBROUS MATERIALS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-06-06 WO disclosed