SCHEMBL21985665

SCHEMBL21985665

CCOC(=O)c1ccc2[nH]c(Cc3ccccc3C(F)(F)F)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HCRTR1 O43613 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
F2 P00734 1/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
EPHX2 P34913 5/20 0.42
PPARG P37231 4/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42

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
SCHEMBL19360428 0.89 F2 (0.47) KDM4EALDH1A1MEN1KMT2AF2
SCHEMBL20822421 0.87 HRH3 (0.44) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL18440581 0.81 HRH3 (0.48) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL20143867 0.79 AHR (0.59) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL7474003 0.78 HRH3 (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL30076020 0.77 KDM4E (0.43) KDM4EALDH1A1F2EPHX2PPARG
SCHEMBL19360302 0.77 KDM4E (0.43) KDM4EALDH1A1F2EPHX2PPARG
SCHEMBL29654185 0.76 HRH3 (0.59) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL20465141 0.76 ALDH1A1 (0.53) KDM4EALDH1A1RAB9ASMN1; SMN2HCRTR1
SCHEMBL19360372 0.76 F2 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-3650448-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-05-13 EP disclosed