SCHEMBL13203469

SCHEMBL13203469

CC(=O)Nc1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.67
▸ KDM4E B2RXH2 10/20 0.67
▸ HPGD P15428 6/20 0.67
▸ RAB9A P51151 6/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.67
▸ TP53 P04637 6/20 0.67
▸ HSD17B10 Q99714 5/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ POLB P06746 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ THRB P10828 1/20 0.60
▸ MAPT P10636 4/20 0.57
▸ KLK7 P49862 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.51
▸ NR2E3 Q9Y5X4 1/20 0.48
▸ BAZ1A Q9NRL2 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL8352834 0.87 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL13203471 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL1251122 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL13203481 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4496122 0.80 KDM4E (0.61) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL13203486 0.80 KDM4E (0.54) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL13220950 0.80 HDAC6 (0.58) —
SCHEMBL26551812 0.79 ALDH1A1 (0.83) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL14090191 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL13203493 0.78 NPC1 (0.64) ALDH1A1KDM4EHPGDRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
US-7777051-B2 Asymmetric benzimidazoles and related compounds as potassium channel modulators ICAGEN, INC. (US) 2010-08-17 — — US disclosed
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