SCHEMBL4411497

SCHEMBL4411497

c1csc(CNc2ncc3nc[nH]c3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KCNH3 Q9ULD8 2/20 0.45
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ TSHR P16473 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42

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
SCHEMBL8855243 0.80 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL1019383 0.77 IP6K1 (0.47) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL27873803 0.75 KCNH3 (0.51) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL15690 0.75 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKCNH3TSHRALDH1A1
SCHEMBL30850601 0.73 RECQL (0.48) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL22191610 0.72 HDAC3 (0.61) SMN1; SMN2LMNAHDAC3HDAC1HDAC2
SCHEMBL14181334 0.72 SMN1; SMN2 (0.66) SMN1; SMN2LMNATSHRALDH1A1CYP1A2
SCHEMBL30939422 0.72 RAD52 (0.39) SMN1; SMN2LMNACDK2ALDH1A1HSD17B10
SCHEMBL30850588 0.72 SMN1; SMN2 (0.66) SMN1; SMN2LMNATSHRALDH1A1CYP1A2
SCHEMBL10644616 0.72 ALDH1A1 (0.56) SMN1; SMN2LMNATSHRALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654255-A MIXTURE OF A N,N-DIMETHYLPIPERIDINIUM SALT, HEXITOL AND CYTOKININ; COTTON PLANTS BASF CORPORATION (US) 1997-08-05 — — US claimed
US-7634870-B1 Cytokinin enhancement of cotton THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-12-22 — — US disclosed
US-4718936-A PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1988-01-12 — — US disclosed
EP-0154937-A2 6-(3-Thienylmethylamino)-purin, process for its preparation and its use BASF Aktiengesellschaft (DE) 1985-09-18 — — EP disclosed
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