SCHEMBL5225088

SCHEMBL5225088

O=C(c1ccccc1)N(Cl)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
THRB P10828 1/20 0.49
KMT2A Q03164 4/20 0.47
TP53 P04637 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 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
SCHEMBL15348824 0.85 TSHR (0.50) TSHRKMT2AALDH1A1TRPM8NPC1
SCHEMBL17675195 0.81 TSHR (0.59) TSHRTHRBKMT2ATP53ALDH1A1
SCHEMBL10840731 0.80 TSHR (0.58) TSHRTHRBKMT2ATP53ALDH1A1
SCHEMBL6316045 0.80 TSHR (0.58) TSHRTHRBKMT2ATP53ALDH1A1
SCHEMBL8299401 0.79 ALDH1A1 (0.47) TSHRKMT2ATP53ALDH1A1TRPM8
SCHEMBL3831838 0.79 TSHR (0.56) TSHRTHRBKMT2ATP53ALDH1A1
SCHEMBL10618369 0.77 TSHR (0.55) TSHRTHRBKMT2ATP53ALDH1A1
SCHEMBL23668046 0.76 MAPT (0.54) THRBKMT2AALDH1A1NPC1RAB9A
SCHEMBL15904408 0.76 TSHR (0.54) TSHRTHRBKMT2ATP53ALDH1A1
SCHEMBL2726847 0.76 TSHR (0.70) TSHRTHRBKMT2ATP53HTT

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
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed