SCHEMBL21390931

SCHEMBL21390931

Cc1nc2cc(F)ccc2n1C1CCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 1/20 0.62
GFER P55789 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 3/20 0.61
MAPK1 P28482 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
PKM P14618 2/20 0.57
CCNT1 O60563 1/20 0.56
CDK9 P50750 1/20 0.56
CYP11B2 P19099 3/20 0.55
CYP11B1 P15538 2/20 0.55
KCNH2 Q12809 1/20 0.51
MCHR1 Q99705 1/20 0.51
GLA P06280 1/20 0.50
UBE2N P61088 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL21390948 0.88 CYP11B2 (0.59) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL1014609 0.87 SMN1; SMN2 (0.58) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL1014610 0.87 SMN1; SMN2 (0.58) ALDH1A1KDM4EMAPTGFERTDP1
Hydrochloric Acid SCHEMBL31587373 0.86 CCR3 (0.62) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL18731435 0.84 KDM4E (0.65) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL13543527 0.82 SMN1; SMN2 (0.53) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL3523976 0.82 SMN1; SMN2 (0.53) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL21025758 0.82 KDM4E (0.62) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL1391258 0.78 KDM4E (0.97) ALDH1A1KDM4EMAPTGFERTDP1
SCHEMBL15345129 0.78 MCHR1 (0.62) ALDH1A1KDM4EMAPTGFERTDP1

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed