SCHEMBL6799157

SCHEMBL6799157

COc1ccc(NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 1.00
NPC1 O15118 11/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
TP53 P04637 4/20 1.00
ALOX15 P16050 1/20 1.00
ALDH1A1 P00352 5/20 0.78
CYP1A2 P05177 2/20 0.78
KDM4E B2RXH2 1/20 0.78
KMT2A Q03164 5/20 0.77
MEN1 O00255 2/20 0.77
GAA P10253 2/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
CASP3 P42574 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
PKM P14618 1/20 0.70
LMNA P02545 2/20 0.69
POLB P06746 1/20 0.69

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
SCHEMBL8769709 0.94 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.94 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.94 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.94 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.94 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8398096 0.93 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8970418 0.93 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22640296 0.93 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5399964 0.93 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5333909 0.93 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420484-B Method for preparing amide compounds 四川大学 2024-08-30 CN disclosed
CN-118420484-A Method for preparing amide compounds 四川大学 2024-08-02 CN disclosed
US-10703911-B2 Organic colorant, coloring composition, and inkjet ink RICOH COMPANY, LTD. (JP) 2020-07-07 US disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed
US-5278180-A 4,5-bis(aryl) 4H-1,2,4-triazoles derivatives and analgesic use ROUSSEL UCLAF (FR) 1994-01-11 US disclosed