SCHEMBL20103646

SCHEMBL20103646

COc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 18/20 1.00
NTRK2 Q16620 14/20 0.76
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL20103644 0.91 NTRK1 (0.83) NTRK1NTRK2NPC1RAB9AMEN1
SCHEMBL20103543 0.86 NTRK1 (0.84) NTRK1NTRK2NPC1RAB9A
SCHEMBL20103636 0.85 NTRK1 (1.00) NTRK1NTRK2NPC1RAB9A
SCHEMBL20103744 0.83 NTRK1 (0.79) NTRK1NTRK2SMN1; SMN2
SCHEMBL20103822 0.82 NTRK1 (1.00) NTRK1NTRK2NPC1RAB9A
SCHEMBL20103766 0.81 NTRK1 (0.82) NTRK1NTRK2NPC1RAB9ASMN1; SMN2
SCHEMBL30933637 0.81 RAB9A (0.69) NTRK1NPC1RAB9AMEN1MAPT
SCHEMBL9303087 0.80 NTRK1 (0.67) NTRK1NPC1RAB9AMEN1MAPT
SCHEMBL16147271 0.79 NTRK1 (0.64) NTRK1NTRK2NPC1RAB9AMAPT
SCHEMBL4110520 0.77 MAPT (0.80) NTRK1NTRK2NPC1RAB9AMEN1

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
WO-2018077898-A1 N,N'-DIARYLUREA, N,N'-DIARYLTHIOUREA AND N,N'-DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE UNIVERSITÄT INNSBRUCK (AT) 2018-05-03 WO disclosed
EP-3315495-A1 N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE Universität Innsbruck (AT) 2018-05-02 EP disclosed