SCHEMBL9526292

SCHEMBL9526292

CSc1ncnc(NC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCND2 P30279 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL10748221 0.81 SMN1; SMN2 (0.52) GAALMNASMN1; SMN2MAPTALDH1A1
SCHEMBL8754688 0.80 — —
SCHEMBL8061638 0.77 LMNA (0.54) TSHRGAAHTTLMNASMN1; SMN2
SCHEMBL8061227 0.77 LMNA (0.48) TSHRGAAHTTLMNASMN1; SMN2
SCHEMBL6448611 0.76 — —
SCHEMBL11361526 0.76 MEN1 (0.37) GAAHTTLMNAMAPTALDH1A1
SCHEMBL6511999 0.73 KMT2A (0.38) GAAHTTLMNASMN1; SMN2MAPT
SCHEMBL9021224 0.73 SMN1; SMN2 (0.43) TSHRGAAHTTLMNASMN1; SMN2
SCHEMBL9292846 0.73 TSHR (0.41) TSHRGAAHTTLMNASMN1; SMN2
SCHEMBL5607162 0.73 — —

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
EP-0251079-B1 3-SUBSTITUTED 1-(2-HALOGENOALKOXY-BENZENSULFONYL)-3-HETEROARYLUREA BAYER AG (DE) 1993-05-19 — — EP disclosed
US-4927454-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-05-22 — — US disclosed
US-4806147-A Substituted 1-benzylsulphonyl-3-heteroaryl-(thio)urea herbicides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 — — US disclosed
US-4738971-A ENHANCED CELL-MEDIATED IMMUNITY; ANTIARTHRITIC AGENTS; NONTOXIC AKTIEBOLASET LEO (SE) 1988-04-19 — — US disclosed
EP-0251079-A2 3-Substituted 1-(2-halogenoalkoxy-benzensulfonyl)-3-heteroarylurea BAYER AG (DE) 1988-01-07 — — EP disclosed
EP-0232723-A1 Herbicidal compositions BAYER AG (DE) 1987-08-19 — — EP disclosed
US-4547511-A FOR ENHANCIN CELL-MEDIATED IMMUNITY AKTIEBOLAGET LEO (SE) 1985-10-15 — — US disclosed
EP-0059698-B1 HETEROCYCLIC CARBOXAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND METHODS OF TREATMENT THEREWITH AB LEO (SE) 1985-09-25 — — EP disclosed
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