SCHEMBL6400239

SCHEMBL6400239

O=C(O)NCc1ccc2c(c1)COO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH2 P05091 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL11701259 0.87 KMT2A (0.44) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL11694491 0.80 AKR1B1 (0.46) RAB9APOLBHPGDTDP1ALDH1A1
SCHEMBL11694521 0.77 FFAR1 (0.43) —
SCHEMBL4557726 0.76 PPID (0.40) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL3620383 0.76 RAB9A (0.70) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL11696212 0.75 CYP4F2 (0.38) RAB9ANPC1CYP2D6
SCHEMBL11693436 0.75 GSK3B (0.38) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL11696376 0.74 SMN1; SMN2 (0.46) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL2937839 0.73 ALDH1A1 (0.65) RAB9ANPC1HPGDSMN1; SMN2TDP1
SCHEMBL2937877 0.73 SMN1; SMN2 (0.70) RAB9ANPC1HPGDSMN1; SMN2TDP1

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
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 — — US disclosed
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