SCHEMBL11534871

SCHEMBL11534871

CCn1c(C)nc2cc(C(C)C)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
RAD52 P43351 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
GAA P10253 1/20 0.55
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 4/20 0.51
RAB9A P51151 4/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
NPC1 O15118 2/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 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
SCHEMBL11527429 0.88 KMT2A (0.48) KDM4ERAD52TDP1KMT2ACYP1A2
SCHEMBL10022427 0.82 BRPF1 (0.49) KDM4ERAD52TDP1KMT2ACYP1A2
SCHEMBL18405585 0.80 CNR2 (0.44) KDM4ERAD52TDP1NLRP3
SCHEMBL10989096 0.80 KDM4E (0.68) KDM4ERAD52TDP1KMT2ACYP1A2
SCHEMBL9886621 0.78 KDM4E (0.51) KDM4EKMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL11535686 0.78 SMN1; SMN2 (0.46) KDM4ELMNASMN1; SMN2RAB9ATSHR
Hydrochloric Acid SCHEMBL11530947 0.77 KDM4E (0.50) KDM4EKMT2ACYP1A2LMNASMN1; SMN2
SCHEMBL26790214 0.77 KDM4E (0.64) KDM4ERAD52TDP1KMT2ACYP1A2
SCHEMBL10641373 0.77 KDM4E (0.64) KDM4ERAD52TDP1KMT2ACYP1A2
SCHEMBL14369083 0.77 KDM4E (0.64) KDM4ERAD52TDP1KMT2ACYP1A2

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-4142886-A Substituted benzimidazole compounds and use as herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1979-03-06 US disclosed