SCHEMBL8111113

SCHEMBL8111113

c1ccc2c(c1)-c1ccccc1C2Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.47
HTR2A P28223 1/20 0.47
KCNQ2 O43526 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
Hydrochloric Acid SCHEMBL9719344 0.98 CYP19A1 (0.46) CYP19A1HTR2AKCNQ2CYP1A2CYP3A4
SCHEMBL9266327 0.91 CYP19A1 (0.41) CYP19A1HTR2AKCNQ2CYP1A2CYP3A4
SCHEMBL9269160 0.91 CYP19A1 (0.41) CYP19A1HTR2AKCNQ2CYP1A2CYP3A4
SCHEMBL17022656 0.85 HTR2A (0.56) HTR2AMAPTCA1CA2
SCHEMBL3918548 0.83 HTR2A (0.54) HTR2AALOX15TP53MAPTCA1
SCHEMBL8381555 0.82 CYP19A1 (0.38) CYP19A1HTR2AKCNQ2CYP1A2CYP3A4
SCHEMBL9719360 0.80 S100A4 (0.41) CYP19A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7983280 0.80 CYP19A1 (0.39) CYP19A1HTR2ACYP3A4ALOX15MAPT
SCHEMBL9271782 0.79 CYP19A1 (0.43) CYP19A1TSHRTP53MAPT
SCHEMBL9719337 0.79 MEN1 (0.45) CYP19A1CYP1A2CYP3A4CYP2C9MAPT

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
CN-103204757-B Method for synthesizing single-alkyl fluorene UNIV WENZHOU 2014-11-19 CN disclosed
CN-103204757-A Method for synthesizing single-alkyl fluorene UNIV WENZHOU 2013-07-17 CN disclosed
CN-103012025-A Alkylation method of fluorene UNIV WENZHOU 2013-04-03 CN disclosed
EP-0623132-B1 DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS DU PONT PHARM CO (US) 2000-08-09 EP disclosed
US-5698559-A ADMINISTERING TO TREAT NEUROLOGICAL DYSFUNCTION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-16 US disclosed
US-5532249-A ALZHEIMERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed
EP-0623132-A1 DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-09 EP disclosed
WO-1993014092-A1 DISUBSTITUTED POLYCYCLIC SYSTEMS AS COGNITION ENHANCERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-07-22 WO disclosed