SCHEMBL10866367

SCHEMBL10866367

CCCC(Sc1nc2ccccc2o1)C(CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 7/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.46
MIF P14174 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
RAB9A P51151 6/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL10872064 0.83 KMT2A (0.55) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL8971845 0.82 KMT2A (0.49) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL11018455 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL9304218 0.80 HPGD (0.47) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL10639973 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL10889085 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL8972330 0.78 KMT2A (0.52) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL8972725 0.78 KMT2A (0.55) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL9306265 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTHSD17B10F2
SCHEMBL9305494 0.77 KMT2A (0.55) ALDH1A1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed