SCHEMBL493277

SCHEMBL493277

CCC(C(=O)O)c1ccncc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
KDM6B O15054 3/20 0.46
KDM4C Q9H3R0 3/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4A O75164 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
AOC1 P19801 2/20 0.40
AOC3 Q16853 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL16466448 0.81 TDP1 (0.50) KDM4EKDM6BKDM4CALDH1A1THRB
Hydrochloric Acid SCHEMBL21405660 0.76 LMNA (0.40) ALDH1A1LMNAHTTSMN1; SMN2AKR1C3
SCHEMBL372487 0.76 LMNA (0.40) ALDH1A1LMNAHTTSMN1; SMN2AKR1C3
SCHEMBL31357901 0.76 LMNA (0.40) ALDH1A1LMNAHTTSMN1; SMN2AKR1C3
SCHEMBL492479 0.76 CYP1A2 (0.47) ALDH1A1THRBMEN1MAPTKMT2A
SCHEMBL492480 0.76 CYP1A2 (0.47) ALDH1A1THRBMEN1MAPTKMT2A
SCHEMBL28032461 0.73 MAPT (0.42) KDM4EALDH1A1THRBTDP1MEN1
SCHEMBL4024273 0.73 TRPV1 (0.49) KDM4EMAPTLMNA
SCHEMBL31149008 0.72 HSD17B10 (0.41) KDM4EALDH1A1THRBTDP1MEN1
SCHEMBL1226388 0.72 LMNA (0.57) KDM4ETHRBMEN1MAPTKMT2A

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-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed