SCHEMBL9586325

SCHEMBL9586325

c1ccc(Cn2cnnn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
HRH1 P35367 1/20 0.40
HDAC1 Q13547 1/20 0.40
GAA P10253 1/20 0.40
P2RX7 Q99572 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9586278 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP1A2KDM4E
SCHEMBL9585238 0.77 MEN1 (0.41) ALDH1A1KMT2AMEN1CYP1A2KDM4E
SCHEMBL19260079 0.74 MAPT (0.47) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL2532477 0.73 CYP19A1 (0.55) ALDH1A1KMT2AMEN1CYP1A2MAPT
SCHEMBL12841354 0.73 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL31415785 0.72 CYP19A1 (0.61) HDAC1
SCHEMBL20605204 0.70 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL2645820 0.70 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL31201624 0.70 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMCYP1A2
SCHEMBL28206656 0.70 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1PKMCYP1A2

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-5200419-A Treatment of cognitive decline, muscle and CNS disorders WARNER-LAMBERT COMPANY (US) 1993-04-06 US disclosed