SCHEMBL8214299

SCHEMBL8214299

C1=NCCN1Nc1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.46
NPC1 O15118 10/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
PKM P14618 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRNA7 P36544 2/20 0.42
HTR3A P46098 2/20 0.42
MAPT P10636 1/20 0.41
OPRK1 P41145 2/20 0.41
HSP90AA1 P07900 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
SCD O00767 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 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
SCHEMBL9774736 0.75 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL9774860 0.74 KDM1A (0.51) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL11868650 0.71 CHRNA7 (0.48) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL15022003 0.69 RAB9A (0.78) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL11784173 0.69 TSHR (0.48) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL7099438 0.67 KDM4E (0.48) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL20195816 0.67 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL1163272 0.67 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL2373205 0.67 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA
SCHEMBL28637996 0.67 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMGAA

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
US-6110952-A PREVENTING OR TREATING NASAL CONGESTION, OTITIS MEDIA AND SINUSITIS WITHOUT UNDESIRED SIDE EFFECTS, ALSO ASTHMA, PAIN, MIGRAINE, SUBSTANCE ABUSE AND ADDICTION, GASTROINTESTINAL DISORDER, ULCER, STOMACH HYPERACIDITY THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
US-6110952-A PREVENTING OR TREATING NASAL CONGESTION, OTITIS MEDIA AND SINUSITIS WITHOUT UNDESIRED SIDE EFFECTS, ALSO ASTHMA, PAIN, MIGRAINE, SUBSTANCE ABUSE AND ADDICTION, GASTROINTESTINAL DISORDER, ULCER, STOMACH HYPERACIDITY THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
US-6110952-A PREVENTING OR TREATING NASAL CONGESTION, OTITIS MEDIA AND SINUSITIS WITHOUT UNDESIRED SIDE EFFECTS, ALSO ASTHMA, PAIN, MIGRAINE, SUBSTANCE ABUSE AND ADDICTION, GASTROINTESTINAL DISORDER, ULCER, STOMACH HYPERACIDITY THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
CN-1242015-A 2-imidazolinylaminobenzoxazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-01-19 CN disclosed
EP-0944622-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023611-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed