SCHEMBL28422775

SCHEMBL28422775

O=C(CC(O)Br)Nc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 2/20 0.50
FNTA P49354 2/20 0.50
FNTB P49356 2/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 1/20 0.47
P2RX7 Q99572 1/20 0.46

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
SCHEMBL243932 0.81 KMT2A (0.59) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL12197936 0.80 PTPN1 (0.73) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL31136174 0.79 PTPN1 (0.56) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL6407780 0.76 KMT2A (0.56) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL9435685 0.76 KMT2A (0.49) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL12681232 0.76 SLC1A3 (0.69) KMT2AALDH1A1POLBNPC1RAB9A
SCHEMBL2098193 0.75 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL16922181 0.75 NPC1 (0.66) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL2098194 0.75 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL1503954 0.75 NPC1 (0.66) KMT2AMEN1SMN1; SMN2LMNAHTT

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-110950842-B Quinoline derivatives having indoleamine-2, 3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2023-06-20 CN disclosed
CN-110950842-A Quinoline derivatives having indoleamine-2, 3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2020-04-03 CN disclosed