SCHEMBL27601304

SCHEMBL27601304

Nc1nc(-c2ccc(NC(=O)CN(C(=O)c3ccc(F)cc3)c3ccc4c(c3)CCCN4)cc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PLAU P00749 1/20 0.37
▸ ALOX5 P09917 2/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ SLC6A9 P48067 3/20 0.36
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.35

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 SCHEMBL6174327 0.99 ALDH1A1 (0.39) ALDH1A1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6172863 0.93 KMT2A (0.39) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL6171738 0.89 KMT2A (0.41) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL6173268 0.89 RAB9A (0.43) ALDH1A1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6174507 0.89 KMT2A (0.40) ALDH1A1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6173338 0.84 RAB9A (0.50) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL27583802 0.81 KMT2A (0.48) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL6173253 0.81 RAB9A (0.40) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL27601474 0.81 KMT2A (0.41) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL6171748 0.80 RAB9A (0.43) ALDH1A1RAB9AMEN1KMT2AMAPT

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-1473157-A Amide derivatives ֮����ҩ��ʽ���� 2004-02-04 — — CN claimed
CN-1473157-A Amide derivatives ֮����ҩ��ʽ���� 2004-02-04 — — CN disclosed
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