SCHEMBL8069229

SCHEMBL8069229

O=[C]CN1CCc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
USP2 O75604 1/20 0.63
CDK4 P11802 1/20 0.63
ALOX15 P16050 1/20 0.63
CCND1 P24385 1/20 0.63
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.51
PTK2B Q14289 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
NOTUM Q6P988 1/20 0.43

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
SCHEMBL2827646 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6617812 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4817825 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL9935901 0.79 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7940135 0.78 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL12377760 0.78 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL13296367 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4112330 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL3131059 0.76 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL14157413 0.75 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071895-A RETROVIRAL PROTEASES INHIBITOR; USEFUL FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL INFECTIONS SUCH AS ACQUIRED IMMUNODEFICIENCY SYNDROME(AIDS); COMPOUND CONTAINING A CYCLIC DIAZAALKANE GROUP NARHEX LIMITED (HK) 2000-06-06 US disclosed
US-5888992-A PROTEASE INHIBITOR; VIRICIDE NARHEX LIMITED (HK) 1999-03-30 US disclosed
EP-0717736-A4 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LTD (HK) 1996-08-28 EP disclosed
EP-0717736-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1996-06-26 EP disclosed
WO-1995007269-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1995-03-16 WO disclosed