SCHEMBL21390948

SCHEMBL21390948

Cc1nc2ccc(F)cc2n1C1CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.59
CYP11B1 P15538 12/20 0.59
CCNT1 O60563 1/20 0.56
CDK9 P50750 1/20 0.56
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
CYP19A1 P11511 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL21390931 0.88 ALDH1A1 (0.62) CYP11B2CYP11B1CCNT1CDK9KDM4E
SCHEMBL17586642 0.82 CDK9 (0.56) CYP11B2CYP11B1CCNT1CDK9KDM4E
SCHEMBL17586640 0.81 CYP11B2 (0.58) CYP11B2CYP11B1CCNT1CDK9ADRB1
SCHEMBL21026145 0.79 CDK9 (0.54) CYP11B2CYP11B1CCNT1CDK9KDM4E
SCHEMBL27359733 0.79 CDK9 (0.54) CYP11B2CYP11B1CCNT1CDK9KDM4E
SCHEMBL11901850 0.79 PIK3CD (0.51) CYP11B2CYP11B1CCNT1CDK9ADRB1
SCHEMBL2493364 0.79 CDK9 (0.60) CYP11B2CYP11B1CCNT1CDK9KDM4E
SCHEMBL6843573 0.78 IDO1 (0.47) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL7717397 0.78 IDO1 (0.47) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1
SCHEMBL7161656 0.78 IDO1 (0.47) CYP11B2CYP11B1ADRB1ADRA2ACYP19A1

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