SCHEMBL4429826

SCHEMBL4429826

NCCc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ HTR1D P28221 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RAD52 P43351 1/20 0.30
▸ UBE2N P61088 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL5533945 0.91 STAT3 (0.49) STAT3STAT1
SCHEMBL1944649 0.86 STAT3 (0.45) STAT3STAT1HSD17B10
SCHEMBL5585185 0.86 STAT3 (0.45) STAT3STAT1
SCHEMBL14867477 0.85 STAT3 (0.49) STAT3STAT1
SCHEMBL3527775 0.83 STAT3 (0.43) STAT3STAT1CYP1A2CYP3A4HSD17B10
SCHEMBL1945830 0.82 STAT3 (0.47) STAT3STAT1
SCHEMBL4410064 0.82 STAT3 (0.47) STAT3STAT1
SCHEMBL460386 0.82 STAT3 (0.47) STAT3STAT1
SCHEMBL5133634 0.82 STAT3 (0.42) STAT3STAT1HSD17B10
SCHEMBL3527769 0.82 STAT3 (0.42) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438715-A4 PRODUCT PACKAGING INCLUDING DIGITAL DATA VERIFICATION TECHNOLOGIES INC (US) 2009-03-25 — — EP disclosed
EP-1438715-A1 PRODUCT PACKAGING INCLUDING DIGITAL DATA Verification Technologies, Inc. (US) 2004-07-21 — — EP disclosed
WO-2003044783-A1 PRODUCT PACKAGING INCLUDING DIGITAL DATA VERIFICATION TECHNOLOGIES, INC. (US) 2003-05-30 — — WO disclosed
US-5127077-A Fiber-optic physiological probes ABBOTT LABORATORIES (US) 1992-06-30 — — US disclosed
US-4925268-A Fiber-optic physiological probes ABBOTT LABORATORIES (US) 1990-05-15 — — US disclosed
EP-0352610-A2 Fiber-optic physiological probes ABBOTT LABORATORIES (US) 1990-01-31 — — EP disclosed
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