SCHEMBL12161641

SCHEMBL12161641

CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ SERPINE1 P05121 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ DEGS1 O15121 1/20 0.48
▸ NR1H4 Q96RI1 3/20 0.47
▸ PPARG P37231 2/20 0.47
▸ MAP3K5 Q99683 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46

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
SCHEMBL10305623 0.85 SERPINE1 (0.44) RAB9ANPC1SMN1; SMN2SERPINE1POLB
SCHEMBL10223720 0.83 CCR9 (0.58) —
SCHEMBL14310306 0.82 SERPINE1 (0.44) RAB9ANPC1SMN1; SMN2SERPINE1POLB
SCHEMBL29738283 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL28761420 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL10223770 0.77 CCR9 (0.54) ALDH1A1MAPTTP53KMT2ALMNA
SCHEMBL12347492 0.77 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2SERPINE1POLB
SCHEMBL7303587 0.76 RAB9A (0.68) RAB9ANPC1SMN1; SMN2SERPINE1POLB
SCHEMBL305646 0.76 CCR9 (0.55) MAPTTP53KMT2ALMNA
SCHEMBL14303632 0.75 MAPT (0.49) RAB9ANPC1SERPINE1POLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838674-B9 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-11-02 — — EP disclosed
EP-1838674-B1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-03-30 — — EP disclosed
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