SCHEMBL10404142

SCHEMBL10404142

[O]COCCSc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 4/20 0.46
LMNA P02545 1/20 0.45
EHMT2 Q96KQ7 1/20 0.44
EHMT1 Q9H9B1 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 3/20 0.43
PKM P14618 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10404144 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL4686390 0.80 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL20863126 0.77 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL8902135 0.77 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL4687320 0.75
SCHEMBL4687623 0.75 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL4685846 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL4684785 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL7208033 0.74 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL27263449 0.73 HRH1 (0.52) ALDH1A1LMNASMN1; SMN2TDP1HSD17B10

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed