SCHEMBL31073624

SCHEMBL31073624

Clc1ccc(-c2ccc(CNCc3ccccn3)o2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ NPC1 O15118 5/20 0.69
▸ POLB P06746 2/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.56
▸ HPGD P15428 2/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.41

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 SCHEMBL11518602 0.81 L3MBTL1 (1.00) L3MBTL1KMT2AMEN1NPC1POLB
SCHEMBL31073656 0.73 KDM4E (0.52) L3MBTL1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL6875538 0.73 SLC2A1 (0.43) KMT2AMEN1NPC1POLBHPGD
SCHEMBL24221655 0.69 SLC2A1 (0.78) POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL29438821 0.69 CHRM2 (0.70) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL230222 0.69 CHRM2 (0.70) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL805163 0.69 ALDH1A1 (0.46) KMT2AMEN1NPC1POLBHPGD
SCHEMBL19416501 0.69 TP53 (0.61) L3MBTL1KMT2AMEN1NPC1ALDH1A1
SCHEMBL13826533 0.69 ALDH1A1 (0.49) L3MBTL1KMT2AMEN1NPC1POLB
SCHEMBL27990140 0.69 NPC1 (0.46) KMT2AMEN1NPC1POLBHPGD

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-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 — — WO claimed
WO-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 — — WO disclosed
Send feedback