SCHEMBL11544150

SCHEMBL11544150

NNC(=O)CCOc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PKM P14618 1/20 0.58
HDAC6 Q9UBN7 1/20 0.55
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.48
SENP2 Q9HC62 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4936220 0.83 RAB9A (0.63) MEN1KMT2AHDAC6HPGDTSHR
SCHEMBL11488532 0.81 MEN1 (0.58) MEN1KMT2APKMHDAC6HPGD
SCHEMBL6764782 0.81 ALDH1A1 (0.64) HPGDTSHRALDH1A1SMN1; SMN2RAB9A
SCHEMBL22747799 0.81 HPGD (0.49) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL578719 0.80 LMNA (0.64) MEN1KMT2APKMHPGDTSHR
SCHEMBL11196941 0.79 KMT2A (0.59) MEN1KMT2APKMHPGDTSHR
SCHEMBL9860833 0.78 MEN1 (0.58) MEN1KMT2APKMHPGDTSHR
SCHEMBL4412374 0.76 CYP1A2 (0.67) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL3161189 0.75 MEN1 (0.58) MEN1KMT2APKMHPGDTSHR
SCHEMBL3551990 0.75 MEN1 (0.63) MEN1KMT2APKMHPGDTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179439-A Rifamycins and method for their preparation INTREPRINDEREA DE ANTIBIOTICE IASI (RO) 1979-12-18 US disclosed