SCHEMBL8429709

SCHEMBL8429709

C[C](C)CSc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2A6 P11509 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL10534062 0.81 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL27340547 0.80 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL11408451 0.79 FFAR1 (0.62) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4681614 0.78
SCHEMBL9036434 0.78
Hydrochloric Acid SCHEMBL27581565 0.76 RAB9A (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8429706 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL94582 0.74 FFAR1 (0.60) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL4684826 0.74 MAPK1 (0.47) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL7870609 0.74 L3MBTL1 (0.45) ALDH1A1RAB9ANPC1SMN1; SMN2KMT2A

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-5942641-A TREATMENT OF ALZHEIMER'S DISEASE, NERVOUS SYSTEM DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-24 US disclosed
EP-0655992-B1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMA CO LTD (JP) 1998-11-04 EP disclosed
EP-0791570-A1 Fluorenone derivatives, process for preparing the same and central or peripheral nerve degeneration repair and protective agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-27 EP disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
WO-1995000468-A1 FLUORENONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CENTRAL OR PERIPHERAL NERVE DEGENERATION REPAIR AND PROTECTIVE AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed