SCHEMBL21091031

SCHEMBL21091031

Fc1ccccc1Cn1nnc(-c2cc(Br)ccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL21091053 0.91 RAB9A (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21054113 0.87 ATM (0.55) MPORAB9ANPC1SMN1; SMN2MAPT
SCHEMBL30061310 0.87 ATM (0.55) MPORAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21053116 0.85 MAPT (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL20779823 0.84 MAPT (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21090690 0.81 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL29074802 0.80 NPC1 (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21054312 0.80 MPO (0.50) MPORAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL29438898 0.80 MPO (0.50) MPORAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL25791152 0.79 ATM (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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-2019113236-A1 BENZOCARBONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-06-13 — — WO disclosed
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