SCHEMBL10759496

SCHEMBL10759496

N#CCc1ccc2occ(-c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ PIN1 Q13526 2/20 0.41
▸ MMP3 P08254 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ PSMB8 P28062 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ GSK3B P49841 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL11549647 0.79 POLB (0.51) POLBNPC1PIN1KDM4EALDH1A1
SCHEMBL11673765 0.78 POLB (0.50) POLBNPC1PIN1KDM4EALDH1A1
SCHEMBL10764119 0.77 POLB (0.49) POLBNPC1PIN1KDM4EALDH1A1
SCHEMBL10366787 0.77 POLB (0.56) POLBNPC1KDM4EALDH1A1RAB9A
SCHEMBL11561878 0.74 POLB (0.56) POLBNPC1KDM4ESMN1; SMN2CA12
SCHEMBL11555994 0.74 GAA (0.54) POLBNPC1KDM4EALDH1A1CA12
SCHEMBL1310721 0.74 PTPN1 (0.55) POLBNPC1PIN1KDM4EALDH1A1
SCHEMBL11355089 0.73 KDM1A (0.46) POLBNPC1PIN1ALDH1A1GSK3B
SCHEMBL11355243 0.73 KDM1A (0.46) POLBNPC1PIN1ALDH1A1GSK3B
SCHEMBL10014193 0.73 PIN1 (0.61) POLBNPC1PIN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4675320-A INHIBIT GROWTH OF MICROORGANISMS RIKER LABORATORIES, INC. (US) 1987-06-23 — — US disclosed
US-4526896-A Microbiocides RIKER LABORATORIES, INC. (US) 1985-07-02 — — US disclosed
Send feedback