SCHEMBL22996752

SCHEMBL22996752

Cc1cc(N2CCOCC2)cc(F)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 9/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 1/20 0.40
NTSR1 P30989 1/20 0.40
PIK3C2B O00750 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL16922688 0.91 KDM4E (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14379370 0.87 KDM4E (0.58) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL12781877 0.79 MAPT (0.58) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1911899 0.79 MAPT (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL22996827 0.78 ALDH1A1 (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL25796640 0.77 MAPT (0.49) KDM4EMAPTALDH1A1HTTLMNA
SCHEMBL17384715 0.77 ALDH1A1 (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7534270 0.76 KDM4E (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2436520 0.76 KDM4E (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL28991680 0.76 KDM4E (0.46) KDM4EMAPTALDH1A1MEN1KMT2A

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-2021030438-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-02-18 WO disclosed