SCHEMBL1743495

SCHEMBL1743495

O=C(Nc1cccnc1)Nc1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.69
RAB9A P51151 5/20 0.69
NPC1 O15118 5/20 0.69
MAPT P10636 4/20 0.69
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TAAR1 Q96RJ0 1/20 0.62
TP53 P04637 3/20 0.62
KDM4E B2RXH2 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTR2B P41595 1/20 0.62
RECQL P46063 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 3/20 0.62
ATM Q13315 1/20 0.62

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
Hydrochloric Acid SCHEMBL27830839 0.98 IMPDH2 (0.68) IMPDH2RAB9ANPC1MAPTMEN1
SCHEMBL9637653 0.83 MEN1 (0.77) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL30051982 0.83 MEN1 (0.77) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL9547503 0.83 RAB9A (0.89) IMPDH2RAB9ANPC1MAPTMEN1
SCHEMBL11049543 0.82 MAPT (1.00) IMPDH2RAB9ANPC1MAPTMEN1
SCHEMBL30697002 0.82 MAPT (1.00) IMPDH2RAB9ANPC1MAPTMEN1
SCHEMBL10665495 0.82 RAB9A (0.79) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL20353575 0.82 IMPDH2 (1.00) IMPDH2RAB9ANPC1MAPTTAAR1
Bromide SCHEMBL29417998 0.82 MEN1 (0.74) RAB9ANPC1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL29388210 0.82 MEN1 (0.74) RAB9ANPC1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730945-B2 Diagnosis of autism spectrum disorders and its treatment with an antagonist or inhibitor of the 5-HT2c receptor signaling pathway MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-08-15 US disclosed
US-8940732-B2 Diagnosis of autism spectrum disorders and its treatment with an antagonist or inhibitor of the 5-HT2c receptor signaling pathway MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-01-27 US disclosed
WO-2012149472-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING AND PREVENTING NEUROLOGICAL CONDITIONS IGNITE INSTITUTE FOR INDIVIDUALIZED HEALTH (US) 2012-11-01 WO disclosed
CN-102348798-A Diagnosis and treatment of autism spectrum disorders MASSACHUSETTS INST TECHNOLOGY 2012-02-08 CN disclosed
EP-2387611-A1 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDERS Massachusetts Institute of Technology (US) 2011-11-23 EP disclosed
US-8040693-B2 Universal expandable patch panel bracket PANDUIT CORP. (US) 2011-10-18 US disclosed
US-20100298304-A1 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-11-25 US disclosed
WO-2010083044-A1 DIAGNOSIS AND TREATMENT OF AUTISM SPECTRUM DISORDERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-22 WO disclosed