SCHEMBL21091053

SCHEMBL21091053

Fc1ccccc1Cn1nnc(-c2cc(Br)ccc2Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ATM Q13315 3/20 0.42
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL21091031 0.91 MPO (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21090690 0.90 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL29074802 0.89 NPC1 (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL21053210 0.86 ATM (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL30061300 0.86 ATM (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL20552757 0.84 HDAC6 (0.42) MAPTALDH1A1HDAC6TP53LMNA
SCHEMBL21053119 0.84 ATM (0.47) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL20779713 0.83 TEAD1 (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL29074757 0.83 ATM (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL25791128 0.78 ATM (0.46) 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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