SCHEMBL20041686

SCHEMBL20041686

Cn1c2ccc(-c3ccc4oc5ccc(-c6ccc7[nH]c8nc9ccccc9n8c7c6)cc5c4c3)cc2n2c3ccccc3nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 4/20 0.36
RAB9A P51151 5/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
MAPT P10636 1/20 0.35
MAPK10 P53779 1/20 0.33
CHEK2 O96017 1/20 0.33
ADORA1 P30542 1/20 0.32
RPA1 P27694 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL20041685 0.89 KMT2A (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL16693319 0.85 CHEK2 (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL15631651 0.85 CHEK2 (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL20041662 0.83 MEN1 (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL20041682 0.79 NPC1 (0.34) RAB9ANPC1CHEK2
SCHEMBL19270941 0.79 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL15631670 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL20041684 0.78 ALOX5 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL16693413 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL20041553 0.77 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed