SCHEMBL9849004

SCHEMBL9849004

O=C(NCl)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 4/20 0.61
SRD5A2 P31213 1/20 0.58
FFAR1 O14842 1/20 0.56
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52

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
SCHEMBL809769 0.91 ALOX15 (0.61) RAB9ANPC1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27790926 0.89 ALOX15 (0.58) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9848995 0.86 L3MBTL1 (0.69) RAB9ANPC1MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL29291114 0.84 HDAC3 (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9157863 0.83 ALDH1A1 (0.48) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9066312 0.81 ALDH1A1 (0.93) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL314267 0.81 ALDH1A1 (0.93) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL14880167 0.80 HDAC8 (0.82) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL992073 0.79 TSHR (0.60) MEN1KMT2AALDH1A1SRD5A2FFAR1
SCHEMBL9849005 0.79 AKR1C3 (0.61) RAB9ANPC1MEN1KMT2AALDH1A1

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
EP-0458197-A2 Use of N-haloamides as photoinitiators for free-radical polymerizations MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-11-27 EP claimed
EP-0458197-A2 Use of N-haloamides as photoinitiators for free-radical polymerizations MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-11-27 EP disclosed